[4-[3-[[(Methylamino)methylene]amino]phenyl]-2-thiazolyl] Guanidine - CAS 88541-12-2

Catalog:	BB060119
Product Name:	[4-[3-[[(Methylamino)methylene]amino]phenyl]-2-thiazolyl] Guanidine
CAS:	88541-12-2
Synonyms:	N-[3-[2-[(Aminoiminomethyl)amino]-4-thiazolyl]phenyl]-N'-methyl-methanimidamide; [4-[3-[[(Methylamino)methylene]amino]phenyl]-2-thiazolyl]-(9CI) Guanidine;(E)-N'-(3-(2-Guanidinothiazol-4-yl)phenyl)-N-methylformimidamide

Technical Data

IUPAC Name:	N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide
Description:	[4-[3-[[(Methylamino)methylene]amino]phenyl]-2-thiazolyl] Guanidine is a guanidino heterocyclic phenylamidines with pharmaceutical properties.
Molecular Weight:	274.34
Molecular Formula:	C12H14N6S
Canonical SMILES:	CN=CNC1=CC=CC(=C1)C2=CSC(=N2)N=C(N)N
InChI:	InChI=1S/C12H14N6S/c1-15-7-16-9-4-2-3-8(5-9)10-6-19-12(17-10)18-11(13)14/h2-7H,1H3,(H,15,16)(H4,13,14,17,18)
InChI Key:	MRTUBNJTWHQTJJ-UHFFFAOYSA-N
References:	Bietti, G., et al. Eur. Pat. Appl. (1983), EP 89730 A2 19830928.

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.10006565
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	274.10006565
Rotatable Bond Count:	4
Topological Polar Surface Area:	130Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1