N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C13H11ClN4S2 — CID 973178

IUPACN-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(Cl)cn3)n2)s1
InChIInChI=1S/C13H11ClN4S2/c1-7-12(20-8(2)16-7)10-6-19-13(17-10)18-11-4-3-9(14)5-15-11/h3-6H,1-2H3,(H,15,17,18)
InChIKeyZEQJSCKNSHHQQV-UHFFFAOYSA-N
MW322.85 g/mol
LogP4.68
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 973178) has the molecular formula C13H11ClN4S2 and a molecular weight of 322.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID973178
Molecular FormulaC13H11ClN4S2
Molecular Weight322.85 g/mol
Exact Mass322.01
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(Cl)cn3)n2)s1
InChIInChI=1S/C13H11ClN4S2/c1-7-12(20-8(2)16-7)10-6-19-13(17-10)18-11-4-3-9(14)5-15-11/h3-6H,1-2H3,(H,15,17,18)
InChIKeyZEQJSCKNSHHQQV-UHFFFAOYSA-N
XLogP4.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 973178) is N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ccc(Cl)cn3)n2)s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is ZEQJSCKNSHHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S2/c1-7-12(20-8(2)16-7)10-6-19-13(17-10)18-11-4-3-9(14)5-15-11/h3-6H,1-2H3,(H,15,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 322.85 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 973178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).