N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide

C₁₁H₁₁N₃OSCAS 21674-96-4233.29 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₁₁H₁₁N₃OS
Molar mass: 233.29 g/mol
Exact mass: 233.0623 Da
logP: 2.35Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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

21674-96-4

SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N

InChIKey

VBBNSESFUHRMJU-UHFFFAOYSA-N

InChI

InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)

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Names and synonyms

1 names

N-(4-(4-Amino-3,5-thiazolyl)phenyl)ethanamide

Work with N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide

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-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine2103-91-555 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-851 % similar 4-(4-Fluorophenyl)-1,3-thiazol-2-amine77815-14-651 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-050 % similar 4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-649 % similar 4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine175135-32-744 % similar 2-Amino-4-(3,4-dichlorophenyl)thiazole39893-80-644 % similar 4'-tert-Butylacetanilide20330-45-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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