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Fadyn
CAS: 76824-35-6 | C8H15N7O2S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76824-35-6
Molecular Formula:
C8H15N7O2S3
Molecular Weight:
337.4560000000001 g/mol
Names and Synonyms:
Fadyn
Cepal
Farmotex
Famotidine
Motiax
Ulcetrax
Ganor
Ulfamid
Famodil
Famoxal
Nulcerin
Amfamox
Pepcidina
Pepcidine
Dispromil
Lecedil
Pepcid
Pepdine
Fanosin
Fibonel
Famosan
Peptan
Gastropen
Muclox
Pepcid PM
Pepdul
Ifada
Famodine
Pepcid AC
Pepdul mite
Ganor mite
Nevofam
Famogast
Fadine
Ulcatif
Famopsin
Sedanium R
Apogastine
H 2 Bloc
Supertidine
Tamin
Famodar
Famox
Quamatel
Digervin
FamoABZ
Quamtel
Ulped
Ulcedine
Ulcidine
Fuweidin
Mosul
Ulceran
Apo-Famotidine
Purifam
Famo
Logos
Peptifam
Fenox
Famonerton
Famos
Gastro
Durater
Panalba
Famodin
Gastrodomina
Restadin
Pepfamin
Dispronil
Ulfagel
Weimok
Pepcidin
Fudone
Fagastine
Famowal
Famotin
Famotal
Gastrion
Fanox
Topcid
Ulped AR
Ulcofam
Fadin
Bestidine
Pepzan
Kemofam
Brolin
Famotep
Pepdif
Ulfam
Dibrit 40
Rogasti
Pepcidin Rapitab
Agufam
Antodine
Famogard
Facid
Famocid
Famostagine-D
Servipep
Peptec
Famolta
Famoser
Mabo
3-[[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N′-sulfamoylpropanimidamide
3-[([2-[(Diaminomethylidene)amino]-1,3-thiazol-4-yl]methyl)sulfanyl]-N-sulfamoylpropanimidamide
Propanimidamide, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)-
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanimidamide
YM 11170
3-[(2-Diaminomethyleneaminothiazol-4-yl)methylthio]-N-sulfamoylpropionamidine
Famotidine
MK 208
N-(Aminosulfonyl)-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]propanimidamide
Gaster
Gastridin
Ulfinol
Identifiers:
SMILES:
N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
InChI:
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 337.46 g/mol | Legacy Database |
| cas-canonical-smile | O=S(=O)(N)NC(=N)CCSCC=1N=C(SC1)NC(=N)N None | Legacy Database |
| cas-inchi | InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) None | Legacy Database |
| cas-inchi-key | InChIKey=XUFQPHANEAPEMJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 163-164 °C None | Legacy Database |
| cas-name | Famotidine None | Legacy Database |
| LogP | -0.15785999999999956 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 337.4560000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 337.04493571999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 170.83 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 82.3994 | RDKit |
