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

C7H3ClN2O3S — CID 83894547

IUPAC3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1sc2nccc(=O)n2c1Cl
InChIInChI=1S/C7H3ClN2O3S/c8-5-4(6(12)13)14-7-9-2-1-3(11)10(5)7/h1-2H,(H,12,13)
InChIKeyLKHAMMIWJDLJMF-UHFFFAOYSA-N
MW230.63 g/mol
LogP1.11
Rot. Bonds1

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

3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83894547) has the molecular formula C7H3ClN2O3S and a molecular weight of 230.63 g/mol. Its IUPAC name is 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID83894547
Molecular FormulaC7H3ClN2O3S
Molecular Weight230.63 g/mol
Exact Mass229.96
IUPAC Name3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1sc2nccc(=O)n2c1Cl
InChIInChI=1S/C7H3ClN2O3S/c8-5-4(6(12)13)14-7-9-2-1-3(11)10(5)7/h1-2H,(H,12,13)
InChIKeyLKHAMMIWJDLJMF-UHFFFAOYSA-N
XLogP1.11
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-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

Related Compounds

3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 83893943
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 140733512
3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164588860
3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 94968824
3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 175767826
4-chloropyridine-2,3-dicarboxylic acid;hydrate
CID 141172424
4-chloropyridine-2,3-dicarboxylic acid;zinc
CID 156700438
2-chloropyrazole-3-carboxylic acid
CID 89407725
2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22250074
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133384146
7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid
CID 155463687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 83894547) is 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1sc2nccc(=O)n2c1Cl.
What is the InChIKey of 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is LKHAMMIWJDLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O3S/c8-5-4(6(12)13)14-7-9-2-1-3(11)10(5)7/h1-2H,(H,12,13).
What are the key properties of 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 230.63 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83894547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).