3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O4S — CID 114254983

IUPAC3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CSCC2C(=O)O)nn1C
InChIInChI=1S/C10H13N3O4S/c1-12-8(17-2)3-6(11-12)9(14)13-5-18-4-7(13)10(15)16/h3,7H,4-5H2,1-2H3,(H,15,16)
InChIKeyXBNAITNRAKZYQI-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.03
Rot. Bonds3

About 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114254983) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID114254983
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CSCC2C(=O)O)nn1C
InChIInChI=1S/C10H13N3O4S/c1-12-8(17-2)3-6(11-12)9(14)13-5-18-4-7(13)10(15)16/h3,7H,4-5H2,1-2H3,(H,15,16)
InChIKeyXBNAITNRAKZYQI-UHFFFAOYSA-N
XLogP0.03
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-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

Related Compounds

(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971313
(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215677
(4R)-3-(3,5-dichloro-4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144844
(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145277
(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28742709
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65214603
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
3-(4-bromo-2-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113295957

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 114254983) is 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is COc1cc(C(=O)N2CSCC2C(=O)O)nn1C.
What is the InChIKey of 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBNAITNRAKZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-12-8(17-2)3-6(11-12)9(14)13-5-18-4-7(13)10(15)16/h3,7H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114254983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).