2-Amino-4-(3-nitrophenyl)thiazole - CAS 57493-24-0

Catalog:	BB029721
Product Name:	2-Amino-4-(3-nitrophenyl)thiazole
CAS:	57493-24-0
Synonyms:	4-(3-nitrophenyl)-2-thiazolamine; 4-(3-nitrophenyl)-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(3-nitrophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(3-nitrophenyl)thiazole (CAS# 57493-24-0) is a useful research chemical.
Molecular Weight:	221.24
Molecular Formula:	C9H7N3O2S
Canonical SMILES:	C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N
InChI:	InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,(H2,10,11)
InChI Key:	CHBDOPARQRNCDM-UHFFFAOYSA-N
Boiling Point:	447.2 °C at 760 mmHg
Density:	1.459 g/cm³
MDL:	MFCD00022455
LogP:	3.40490

Publication Number	Title	Priority Date
CN-109456280-B	4-phenylthiazole-2-amine derivative containing urea structure and preparation method and application thereof	20181224
WO-2019234237-A1	Heterocyclic compounds as class ii phosphoinositide 3-kinase inhibitors	20180607
AU-2019281015-A1	Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors	20180607
EP-3802530-A1	Heterocyclic compounds as class ii phosphoinositide 3-kinase inhibitors	20180607
CN-107501204-B	Method for synthesizing 1, 3-substituted thiazole ring compound from styrene compound	20170901

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.02589765
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.02589765
Rotatable Bond Count:	1
Topological Polar Surface Area:	113 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1