7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H12N4OS2 — CID 8875367

IUPAC7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC2=NCCCN2)nc2sccn12
InChIInChI=1S/C11H12N4OS2/c16-9-6-8(14-11-15(9)4-5-17-11)7-18-10-12-2-1-3-13-10/h4-6H,1-3,7H2,(H,12,13)
InChIKeyJWEJCOSKJGDXRE-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.34
Rot. Bonds2

About 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8875367) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID8875367
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC2=NCCCN2)nc2sccn12
InChIInChI=1S/C11H12N4OS2/c16-9-6-8(14-11-15(9)4-5-17-11)7-18-10-12-2-1-3-13-10/h4-6H,1-3,7H2,(H,12,13)
InChIKeyJWEJCOSKJGDXRE-UHFFFAOYSA-N
XLogP1.34
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[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 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 8875367) is 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSC2=NCCCN2)nc2sccn12.
What is the InChIKey of 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JWEJCOSKJGDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c16-9-6-8(14-11-15(9)4-5-17-11)7-18-10-12-2-1-3-13-10/h4-6H,1-3,7H2,(H,12,13).
What are the key properties of 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 280.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8875367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).