1-(4-(4-Methoxyphenyl)thiazol-2-yl)guanidine Hydrobromide - CAS 96996-05-3

Catalog:	BB063773
Product Name:	1-(4-(4-Methoxyphenyl)thiazol-2-yl)guanidine Hydrobromide
CAS:	96996-05-3
Synonyms:	[4-(4-Methoxyphenyl)-2-thiazolyl]guanidine Monohydrobromide; N-[4-(4-Methoxyphenyl)-2-thiazolyl]guanidine Hydrobromide

Technical Data

IUPAC Name:	2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidinehydrobromide
Description:	1-(4-(4-Methoxyphenyl)thiazol-2-yl)guanidine Hydrobromide is used in the preparation of antiulcer agents, specifically 4-Substituted 2-guanidinothiazoles, which are reversible, competitive, and selective inhibitors of gastric H+,K+-ATPase. 1-(4-(4-Methoxyphenyl)thiazol-2-yl)guanidine Hydrobromide is also used in the preparation of thiazole compounds as myosin light chain phosphatase inhibitors for prostate cancer treatment.
Molecular Weight:	248.30 + (80.91)
Molecular Formula:	C11H12N4OS·HBr
Canonical SMILES:	COC1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N.Br
InChI:	InChI=1S/C11H12N4OS.BrH/c1-16-8-4-2-7(3-5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)1H
InChI Key:	JGGSSYXNIPKSJT-UHFFFAOYSA-N
References:	LaMattina, J., et al. J. Med. Chem., 33, 543 (1990); Brown, M., Grindrod, S. PCT Int. Appl. (2009), WO 2009146013 A1 20091203.

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	327.99934
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	327.99934
Rotatable Bond Count:	3
Topological Polar Surface Area:	115Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0