7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C13H10ClN3OS2 — CID 18199826

IUPAC7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1
InChIInChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-10-4-12(18)17-5-9(14)2-3-11(17)16-10/h2-6H,7H2,1H3
InChIKeyKEUZHLCKPUDFOD-UHFFFAOYSA-N
MW323.83 g/mol
LogP3.41
Rot. Bonds3

About 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18199826) has the molecular formula C13H10ClN3OS2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18199826
Molecular FormulaC13H10ClN3OS2
Molecular Weight323.83 g/mol
Exact Mass323.00
IUPAC Name7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1
InChIInChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-10-4-12(18)17-5-9(14)2-3-11(17)16-10/h2-6H,7H2,1H3
InChIKeyKEUZHLCKPUDFOD-UHFFFAOYSA-N
XLogP3.41
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 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 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 18199826) is 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1csc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1.
What is the InChIKey of 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KEUZHLCKPUDFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-10-4-12(18)17-5-9(14)2-3-11(17)16-10/h2-6H,7H2,1H3.
What are the key properties of 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18199826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).