3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12N2OS2 — CID 45106287

IUPAC3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ccccc3)cc(=O)n12
InChIInChI=1S/C14H12N2OS2/c1-10-8-19-14-15-11(7-13(17)16(10)14)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyPXUSELCQQHSNTL-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.36
Rot. Bonds3

About 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 45106287) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID45106287
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ccccc3)cc(=O)n12
InChIInChI=1S/C14H12N2OS2/c1-10-8-19-14-15-11(7-13(17)16(10)14)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyPXUSELCQQHSNTL-UHFFFAOYSA-N
XLogP3.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-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 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 45106287) is 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSc3ccccc3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PXUSELCQQHSNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-10-8-19-14-15-11(7-13(17)16(10)14)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3.
What are the key properties of 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 288.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 45106287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).