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

C7H4N2O3S — CID 762362

IUPAC5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
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)
InChIKeyFDGPDTWORUVKQX-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.45
Rot. Bonds1

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

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 762362) 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-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID762362
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
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)
InChIKeyFDGPDTWORUVKQX-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

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Related Compounds

2-methyl-5-oxo-5H-(1,3)thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 918861
methyl 7-hydroxy-5-oxo-5H-(1,3)thiazolo(3,2-a)pyrimidine-6-carboxylate
CID 135454198
2,3-Dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 1807101
3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 6484551
5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5212709
2-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126650140
5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 154058571
5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1807100
7-(methylsulfanyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826
7-Methyl-5-oxo-5H-thiazolo[3,2-A]pyrimidine-6-carboxylic acid
CID 14319828
3-[Methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 55021501
3-[Ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953

Frequently Asked Questions

What is the IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 762362) is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is FDGPDTWORUVKQX-UHFFFAOYSA-N. 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).
What are the key properties of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-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-6-carboxylic acid is sourced from PubChem (CID 762362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).