5-(4-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine - CAS 71125-48-9

Catalog:	BB060209
Product Name:	5-(4-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CAS:	71125-48-9
Synonyms:	5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine

Technical Data

IUPAC Name:	5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
Description:	5-(4-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine can be used as inhibitors of the colorectal cancer cell Wnt signalling pathway. It can also be prepared to be used as KYN-OH inhibitors.
Molecular Weight:	198.29
Molecular Formula:	C8H14N4S
Canonical SMILES:	CC1CCN(CC1)C2=NN=C(S2)N
InChI:	InChI=1S/C8H14N4S/c1-6-2-4-12(5-3-6)8-11-10-7(9)13-8/h6H,2-5H2,1H3,(H2,9,10)
InChI Key:	PFDMUJUXOAJIRU-UHFFFAOYSA-N
References:	Thede, K., et.al. PCT Int. Appl., 116, (2016); Pevarello, P., et.al. PCT Int. Appl., 30, (1999).

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.09391764
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.09391764
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8