2-Amino-4-(p-nitrophenyl)thiazole

C9H7N3O2SCAS 2104-09-8221.23 g/mol

Open in Covalent MOL file
HNNHN+OO−S
Nitro

Properties

Molecular formula
C9H7N3O2S
Molar mass
221.23 g/mol
Exact mass
221.0259 Da
Melting point
285–286 °C
logP
2.13Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2104-09-8
SMILES
N=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1
InChIKey
RIKJWJIWXCUKQV-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2-Thiazolamine, 4-(4-nitrophenyl)-
  • Thiazole, 2-amino-4-(p-nitrophenyl)-
  • 4-(4-Nitrophenyl)-2-thiazolamine
  • 4-(4-Nitrophenyl)thiazol-2-amine
  • 2-Amino-4-(4-nitrophenyl)thiazole
  • 4-(4-Nitrophenyl)-1,3-thiazol-2-amine
  • 2-Amino-4-(4′-nitrophenyl)-1,3-thiazole

Work with 2-Amino-4-(p-nitrophenyl)thiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[1,1′-Biphenyl]-4-yl-2-thiazolamine2834-79-955 % similar 2-Amino-4-phenylthiazole2010-06-254 % similar 4-(4-Chlorophenyl)-2-thiazolamine2103-99-354 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-150 % similar 2-Amino-4-(4-methoxyphenyl)thiazole2104-04-350 % similar 2-Amino-6-nitrobenzothiazole6285-57-048 % similar 3-(4-Nitrophenyl)-1H-pyrazole20583-31-748 % similar 4-(2-Naphthyl)-1,3-thiazol-2-amine21331-43-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2′-Thiazolylazo)resorcinol2246-46-0 4-(3-Nitro-phenyl)-thiazol-2-ylamine57493-24-0 1,3-Dihydro-4-(4-nitrophenyl)-2H-imidazole-2-thione6857-35-8

Elsewhere

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