5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H12N4O2S — CID 3238725

IUPAC5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H12N4O2S/c18-11(15-7-9-2-1-3-14-6-9)10-8-16-13-17(12(10)19)4-5-20-13/h1-3,6,8H,4-5,7H2,(H,15,18)
InChIKeyGUFGBDDMILVORM-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.67
Rot. Bonds3

About 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3238725) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3238725
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H12N4O2S/c18-11(15-7-9-2-1-3-14-6-9)10-8-16-13-17(12(10)19)4-5-20-13/h1-3,6,8H,4-5,7H2,(H,15,18)
InChIKeyGUFGBDDMILVORM-UHFFFAOYSA-N
XLogP0.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 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 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3238725) is 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1cccnc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GUFGBDDMILVORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-11(15-7-9-2-1-3-14-6-9)10-8-16-13-17(12(10)19)4-5-20-13/h1-3,6,8H,4-5,7H2,(H,15,18).
What are the key properties of 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3238725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).