4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C9H10N2O3S — CID 7130874

IUPAC4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCC2=O)sc1C(=O)O
InChIInChI=1S/C9H10N2O3S/c1-5-7(8(13)14)15-9(10-5)11-4-2-3-6(11)12/h2-4H2,1H3,(H,13,14)
InChIKeyUDOHYIHEVKKXFQ-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.28
Rot. Bonds2

About 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 7130874) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID7130874
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCC2=O)sc1C(=O)O
InChIInChI=1S/C9H10N2O3S/c1-5-7(8(13)14)15-9(10-5)11-4-2-3-6(11)12/h2-4H2,1H3,(H,13,14)
InChIKeyUDOHYIHEVKKXFQ-UHFFFAOYSA-N
XLogP1.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(2-oxopyrrolidin-1-yl)-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 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 7130874) is 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCCC2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UDOHYIHEVKKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5-7(8(13)14)15-9(10-5)11-4-2-3-6(11)12/h2-4H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 7130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).