2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid

C8H10N2O3S — CID 138472962

IUPAC2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)C(=O)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-4(2)6(11)10-8-9-3-5(14-8)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyASSSMQLKODVFDC-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid

2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 138472962) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID138472962
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)C(=O)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-4(2)6(11)10-8-9-3-5(14-8)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyASSSMQLKODVFDC-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropanoylamino)-1,3-thiazole-5-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 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid (CID 138472962) is 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid is CC(C)C(=O)Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ASSSMQLKODVFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4(2)6(11)10-8-9-3-5(14-8)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 138472962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).