2-Amino-4-(4-chlorophenyl)thiazole - CAS 2103-99-3

Name: 2-Amino-4-(4-chlorophenyl)thiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016560
Product Name:	2-Amino-4-(4-chlorophenyl)thiazole
CAS:	2103-99-3
Synonyms:	4-(4-chlorophenyl)-1,3-thiazol-2-amine

Technical Data

IUPAC Name:	4-(4-chlorophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(4-chlorophenyl)thiazole (CAS# 2103-99-3) is used in biological studies to evaluate the structure activity relationship of tricyclic aminothiazoles as angiogensis inhibitors.
Molecular Weight:	210.68
Molecular Formula:	C9H7ClN2S
Canonical SMILES:	C1=CC(=CC=C1C2=CSC(=N2)N)Cl
InChI:	InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChI Key:	DWGWNNCHJPKZNC-UHFFFAOYSA-N
Boiling Point:	389.8 °C at 760 mmHg
Melting Point:	169-171 °C
Purity:	95 %
Density:	1.389 g/cm³
Appearance:	White to light yellow crystal powde
MDL:	MFCD00047058
LogP:	3.62690

GHS Hazard Statement:	H301 (96.99%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021012018-A1	Inhibitor compounds	20190724
EP-3407912-A1	Methods for enhancing the potency of the immune checkpoint inhibitors	20160128
US-2019031757-A1	Methods for enhancing the potency of the immune checkpoint inhibitors	20160128
WO-2017129769-A1	Methods for enhancing the potency of the immune checkpoint inhibitors	20160128
US-10822415-B2	Methods for enhancing the potency of the immune checkpoint inhibitors	20160128

PMID	Publication Date	Title	Journal
22091133	20110801	4-(4-Chloro-phen-yl)-N-[(E)-4-(dimethyl-amino)-benzyl-idene]-1,3-thia-zol-2-amine	Acta crystallographica. Section E, Structure reports online
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry
17442527	20070727	Structural analysis of photo-degradation in thiazole-containing compounds by LC-MS/MS and NMR	Journal of pharmaceutical and biomedical analysis
9696789	19980901	Inhibition of herpes simplex virus replication by a 2-amino thiazole via interactions with the helicase component of the UL5-UL8-UL52 complex	Journal of virology

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0018471
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0018471
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2