5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C7H3N2O3S- — CID 5212709

IUPAC5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESO=C([O-])c1cnc2sccn2c1=O
InChIInChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)/p-1
InChIKeyFDGPDTWORUVKQX-UHFFFAOYSA-M
MW195.18 g/mol
LogP-0.88
Rot. Bonds1

About 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5212709) has the molecular formula C7H3N2O3S- and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID5212709
Molecular FormulaC7H3N2O3S-
Molecular Weight195.18 g/mol
Exact Mass194.99
IUPAC Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESO=C([O-])c1cnc2sccn2c1=O
InChIInChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)/p-1
InChIKeyFDGPDTWORUVKQX-UHFFFAOYSA-M
XLogP-0.88
TPSA74.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 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-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5212709) is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is O=C([O-])c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is FDGPDTWORUVKQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)/p-1.
What are the key properties of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 195.18 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5212709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).