2-Amino-4,5-diphenylthiazole

HCID 73222

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Basic information

CAS: 6318-74-7
Standard SMILES: Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIKey: XDWGEGZDMFHZBL-UHFFFAOYSA-N
Molecular formula: C15H12N2S
Average molar mass: 252.3 g/mol
Monoisotopic mass: 252.07211938

Overview

decreases concentrating ability of kidney; RN given refers to parent cpd

Names & identifiers

Preferred name: 2-Amino-4,5-diphenylthiazole
IUPAC: 4,5-diphenyl-1,3-thiazol-2-amine
English name: Bax 439
Molecular formula: C15H12N2S
Molecular weight: 252.33

Names & synonyms

6318-74-72-Amino-4,5-diphenylthiazoleBax 4392-Thiazolamine, 4,5-diphenyl-DTXSID70212532906UD03ZF34,5-Diphenyl-2-thiazolamine, monohydrochlorideNSC-31689Bax-439RefChem:116707DTXCID00135023678-909-2

Show more names

4,5-di(phenyl)-2-thiazolamine2-Amino-4,5-diphenylthiazole,97%2-Amino-4,5-diphenylthiazole, 97%

4,5-diphenylthiazol-2-amine4,5-Diphenyl-1,3-thiazol-2-amine4,5-Diphenyl-thiazol-2-ylamineThiazole, 2-amino-4,5-diphenyl-MFCD00438803NSC 316894,5-diphenyl-2-aminothiazoleNSC31689

Database identifiers

CAS: 6318-74-7
PubChem CID: 73222
DTXSID: DTXSID70212532
ChEMBL: CHEMBL247129
UNII: 906UD03ZF3
EC Number: 678-909-2
Nikkaji: J48.791K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 189 · 189-190℃ (hexane ethyl acetate )
Boiling point: 420 · 420.0±14.0 °C(Predicted)
Density: 1.23 · 1.230±0.06 g/cm3(Predicted)
RTECS: 2450000 · XJ2450000
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.02 · 4.02±0.10(Predicted)
Appearance: White to off-white Solid
Water Solubility: Insoluble in water. Soluble in chloroform and methanol.
CAS DataBase Reference: 6318 · 6318-74-7
EWG's Food Scores: 1 · 1
FDA UNII: 906 UD03ZF3 · 906UD03ZF3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 h-P305+P351+P338 · P280h-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280h-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesBis(trimethylsilyl)acetylene is a ligand that binds to a central metal ion (e.g. Titanium) to create a coordination complex. One of its complexes, Permethyltitanocene-bis(trimethylsilyl)acetylene, is a catalyst for the head-to-tail dimerization of 1-alkynes (e.g. 3-Penten-1-yne).