4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid

C10H12N2O4S2 — CID 104893066

IUPAC4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NC1CCS(=O)CC1)c1csc(C(=O)O)n1
InChIInChI=1S/C10H12N2O4S2/c13-8(7-5-17-9(12-7)10(14)15)11-6-1-3-18(16)4-2-6/h5-6H,1-4H2,(H,11,13)(H,14,15)
InChIKeyPBEBQQRKBXIWKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.48
Rot. Bonds3

About 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid

4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104893066) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104893066
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NC1CCS(=O)CC1)c1csc(C(=O)O)n1
InChIInChI=1S/C10H12N2O4S2/c13-8(7-5-17-9(12-7)10(14)15)11-6-1-3-18(16)4-2-6/h5-6H,1-4H2,(H,11,13)(H,14,15)
InChIKeyPBEBQQRKBXIWKZ-UHFFFAOYSA-N
XLogP0.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-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 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid (CID 104893066) is 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid is O=C(NC1CCS(=O)CC1)c1csc(C(=O)O)n1.
What is the InChIKey of 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is PBEBQQRKBXIWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c13-8(7-5-17-9(12-7)10(14)15)11-6-1-3-18(16)4-2-6/h5-6H,1-4H2,(H,11,13)(H,14,15).
What are the key properties of 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104893066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).