3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H16N2O3S2 — CID 65245298

IUPAC3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(CNC(=O)N2CSCC2C(=O)O)sc1C
InChIInChI=1S/C12H16N2O3S2/c1-7-3-9(19-8(7)2)4-13-12(17)14-6-18-5-10(14)11(15)16/h3,10H,4-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHNRYHSZXDHDFOP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.03
Rot. Bonds3

About 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65245298) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID65245298
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Name3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(CNC(=O)N2CSCC2C(=O)O)sc1C
InChIInChI=1S/C12H16N2O3S2/c1-7-3-9(19-8(7)2)4-13-12(17)14-6-18-5-10(14)11(15)16/h3,10H,4-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHNRYHSZXDHDFOP-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-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-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 65245298) is 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1cc(CNC(=O)N2CSCC2C(=O)O)sc1C.
What is the InChIKey of 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HNRYHSZXDHDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-7-3-9(19-8(7)2)4-13-12(17)14-6-18-5-10(14)11(15)16/h3,10H,4-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).