3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C12H14ClNO3S2 — CID 80644761

IUPAC3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1sccc1Cl
InChIInChI=1S/C12H14ClNO3S2/c1-2-3-9-14(8(6-19-9)12(16)17)11(15)10-7(13)4-5-18-10/h4-5,8-9H,2-3,6H2,1H3,(H,16,17)
InChIKeyQEKXXLRSNPLGLX-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.17
Rot. Bonds4

About 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80644761) has the molecular formula C12H14ClNO3S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID80644761
Molecular FormulaC12H14ClNO3S2
Molecular Weight319.84 g/mol
Exact Mass319.01
IUPAC Name3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1sccc1Cl
InChIInChI=1S/C12H14ClNO3S2/c1-2-3-9-14(8(6-19-9)12(16)17)11(15)10-7(13)4-5-18-10/h4-5,8-9H,2-3,6H2,1H3,(H,16,17)
InChIKeyQEKXXLRSNPLGLX-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorothiophene-2-carbonyl)-2-propyl-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 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 80644761) is 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1sccc1Cl.
What is the InChIKey of 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QEKXXLRSNPLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S2/c1-2-3-9-14(8(6-19-9)12(16)17)11(15)10-7(13)4-5-18-10/h4-5,8-9H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 319.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80644761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).