5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

C7H4N2O3S — CID 57164866

IUPAC5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)ccnc2s1
InChIInChI=1S/C7H4N2O3S/c10-5-1-2-8-7-9(5)3-4(13-7)6(11)12/h1-3H,(H,11,12)
InChIKeyCKVNHFCMWSGGQZ-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.45
Rot. Bonds1

About 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 57164866) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID57164866
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)ccnc2s1
InChIInChI=1S/C7H4N2O3S/c10-5-1-2-8-7-9(5)3-4(13-7)6(11)12/h1-3H,(H,11,12)
InChIKeyCKVNHFCMWSGGQZ-UHFFFAOYSA-N
XLogP0.45
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid 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-2-carboxylic acid?
The IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 57164866) is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(=O)ccnc2s1.
What is the InChIKey of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is CKVNHFCMWSGGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-5-1-2-8-7-9(5)3-4(13-7)6(11)12/h1-3H,(H,11,12).
What are the key properties of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 196.19 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 57164866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).