5-carbamoyl-1,2-thiazole-3-carboxylic acid

C5H4N2O3S — CID 13167781

IUPAC5-carbamoyl-1,2-thiazole-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)ns1
InChIInChI=1S/C5H4N2O3S/c6-4(8)3-1-2(5(9)10)7-11-3/h1H,(H2,6,8)(H,9,10)
InChIKeyZACGDGDASKYZNX-UHFFFAOYSA-N
MW172.17 g/mol
LogP-0.06
Rot. Bonds2

About 5-carbamoyl-1,2-thiazole-3-carboxylic acid

5-carbamoyl-1,2-thiazole-3-carboxylic acid (PubChem CID 13167781) has the molecular formula C5H4N2O3S and a molecular weight of 172.17 g/mol. Its IUPAC name is 5-carbamoyl-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-1,2-thiazole-3-carboxylic acid
PubChem CID13167781
Molecular FormulaC5H4N2O3S
Molecular Weight172.17 g/mol
Exact Mass171.99
IUPAC Name5-carbamoyl-1,2-thiazole-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)ns1
InChIInChI=1S/C5H4N2O3S/c6-4(8)3-1-2(5(9)10)7-11-3/h1H,(H2,6,8)(H,9,10)
InChIKeyZACGDGDASKYZNX-UHFFFAOYSA-N
XLogP-0.06
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-carbamoyl-1,2-thiazole-3-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-carbamoyl-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-1,2-thiazole-3-carboxylic acid (CID 13167781) is 5-carbamoyl-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-1,2-thiazole-3-carboxylic acid is NC(=O)c1cc(C(=O)O)ns1.
What is the InChIKey of 5-carbamoyl-1,2-thiazole-3-carboxylic acid?
The InChIKey is ZACGDGDASKYZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3S/c6-4(8)3-1-2(5(9)10)7-11-3/h1H,(H2,6,8)(H,9,10).
What are the key properties of 5-carbamoyl-1,2-thiazole-3-carboxylic acid?
5-carbamoyl-1,2-thiazole-3-carboxylic acid has a molecular weight of 172.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 13167781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).