2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C11H15N3O4S2 — CID 63781185

IUPAC2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2C(C(=O)O)CSC2C2CC2)cn1
InChIInChI=1S/C11H15N3O4S2/c1-13-5-8(4-12-13)20(17,18)14-9(11(15)16)6-19-10(14)7-2-3-7/h4-5,7,9-10H,2-3,6H2,1H3,(H,15,16)
InChIKeyHSDDSTQIVASWFQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.35
Rot. Bonds4

About 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781185) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781185
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC Name2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2C(C(=O)O)CSC2C2CC2)cn1
InChIInChI=1S/C11H15N3O4S2/c1-13-5-8(4-12-13)20(17,18)14-9(11(15)16)6-19-10(14)7-2-3-7/h4-5,7,9-10H,2-3,6H2,1H3,(H,15,16)
InChIKeyHSDDSTQIVASWFQ-UHFFFAOYSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 63781185) is 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cn1cc(S(=O)(=O)N2C(C(=O)O)CSC2C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HSDDSTQIVASWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c1-13-5-8(4-12-13)20(17,18)14-9(11(15)16)6-19-10(14)7-2-3-7/h4-5,7,9-10H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).