4-[1,1′-Biphenyl]-4-yl-2-thiazolamine

C₁₅H₁₂N₂SCAS 2834-79-9252.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₂N₂S
Molar mass: 252.34 g/mol
Exact mass: 252.0721 Da
Melting point: 207–208 °C
logP: 3.89Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2834-79-9

SMILES

N=c1[nH]c(-c2ccc(-c3ccccc3)cc2)cs1

InChIKey

HTAUVJPDFDVVHV-UHFFFAOYSA-N

InChI

InChI=1S/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)

Weigh it out

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

Names and synonyms

5 names

2-Thiazolamine, 4-[1,1′-biphenyl]-4-yl-
Thiazole, 2-amino-4-(4-biphenylyl)-
4-(1,1′-Biphenyl-4-yl)-2-amino-1,3-thiazole
4-(4-Phenylphenyl)thiazol-2-amine
2-Amino-4-(4-biphenylyl)thiazole

Work with 4-[1,1′-Biphenyl]-4-yl-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-phenylthiazole2010-06-292 % similar 4-(4-Chlorophenyl)-2-thiazolamine2103-99-366 % similar 4-(2-Naphthyl)-1,3-thiazol-2-amine21331-43-165 % similar 2-Amino-4-(4-methoxyphenyl)thiazole2104-04-360 % similar 2-Amino-4-(p-nitrophenyl)thiazole2104-09-855 % similar 2-Hydroxy-4-phenylthiazole3884-31-953 % similar 4-(1-Naphthalenyl)-2-thiazolamine56503-96-951 % similar 3-Amino-5-phenylpyrazole1572-10-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Diphenyl-2-imidazolethiol2349-58-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook