2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H15NO4S2 — CID 81126806

IUPAC2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1csc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1
InChIInChI=1S/C13H15NO4S2/c1-18-8-4-10(19-5-8)11(15)14-9(13(16)17)6-20-12(14)7-2-3-7/h4-5,7,9,12H,2-3,6H2,1H3,(H,16,17)
InChIKeyRNLNNAYRGNWQEB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.13
Rot. Bonds4

About 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 81126806) has the molecular formula C13H15NO4S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID81126806
Molecular FormulaC13H15NO4S2
Molecular Weight313.40 g/mol
Exact Mass313.04
IUPAC Name2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1csc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1
InChIInChI=1S/C13H15NO4S2/c1-18-8-4-10(19-5-8)11(15)14-9(13(16)17)6-20-12(14)7-2-3-7/h4-5,7,9,12H,2-3,6H2,1H3,(H,16,17)
InChIKeyRNLNNAYRGNWQEB-UHFFFAOYSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-(4-methoxythiophene-2-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

2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780524
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 66380813
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 66127621
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236298

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 81126806) is 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is COc1csc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RNLNNAYRGNWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S2/c1-18-8-4-10(19-5-8)11(15)14-9(13(16)17)6-20-12(14)7-2-3-7/h4-5,7,9,12H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 81126806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).