4-(1-Naphthalenyl)-2-thiazolamine

C₁₃H₁₀N₂SCAS 56503-96-9226.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀N₂S
Molar mass: 226.30 g/mol
Exact mass: 226.0565 Da
Melting point: 162 °C
logP: 3.38Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56503-96-9

SMILES

N=c1[nH]c(-c2cccc3ccccc23)cs1

InChIKey

NBQUWOCIFFHZTM-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)

Weigh it out

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

Names and synonyms

7 names

2-Thiazolamine, 4-(1-naphthalenyl)-
Thiazole, 2-amino-4-(1-naphthyl)-
2-Amino-4-α-naphthylthiazole
2-Amino-4-naphth-1′-ylthiazole
2-Amino-4-(naphthalin-1-yl)thiazol
2-Amino-4-(naphthalen-1-yl)thiazole
4-(Naphthalen-1-yl)-2-aminothiazole

Work with 4-(1-Naphthalenyl)-2-thiazolamine

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

2-Amino-4-phenylthiazole2010-06-254 % similar 4-[1,1′-Biphenyl]-4-yl-2-thiazolamine2834-79-951 % similar 4-(4-Chlorophenyl)-2-thiazolamine2103-99-346 % similar 1,1′-Binaphthyl604-53-545 % similar Ska-3140172-65-441 % similar 9,10-Di(1-naphthyl)anthracene26979-27-141 % similar 1-Phenylnaphthalene605-02-740 % similar 2-Amino-4-(4-methoxyphenyl)thiazole2104-04-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Naphthyl)-1,3-thiazol-2-amine21331-43-1 2-(4-Aminophenyl)benzothiazole6278-73-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook