5-[(4-Methoxyphenyl)methyl]-2-thiazolamine - CAS 299953-06-3

Name: 5-[(4-Methoxyphenyl)methyl]-2-thiazolamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB075887
Product Name:	5-[(4-Methoxyphenyl)methyl]-2-thiazolamine
CAS:	299953-06-3
Synonyms:	5-(4-Methoxy-benzyl)-thiazol-2-ylamine; 5-(4-Methoxybenzyl)thiazol-2-amine; 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine; 5-(4-methoxybenzyl)-1,3-thiazol-2-amine; 5-(4-Methoxy-benzyl)thiazol-2-ylamine; 2-Thiazolamine, 5-[(4-methoxyphenyl)methyl]-; 2-amino-5-(4-methoxybenzyl)-1,3-thiazole

Technical Data

IUPAC Name:	5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
Description:	5-[(4-Methoxyphenyl)methyl]-2-thiazolamine is a reagent in the discovery of 2-Amino-5-arylmethyl-1,3-thiazole derivative as potential therapeutic agents for prostate cancer.
Molecular Weight:	220.29
Molecular Formula:	C11H12N2OS
Canonical SMILES:	COC1=CC=C(C=C1)CC2=CN=C(S2)N
InChI:	InChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChI Key:	MSYFQOUPMXMROC-UHFFFAOYSA-N
Solubility:	31.8 ug/ml
References:	Krasavin, M., et al. Arch. Pharm. (Weinheim), 342, 420-427 (2009).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.06703418
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.06703418
Rotatable Bond Count:	3
Topological Polar Surface Area:	76.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5