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

C10H13N3O3S2 — CID 54963115

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CSCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyBADWNOZBFUPQCB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.12
Rot. Bonds3

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

3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54963115) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54963115
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CSCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyBADWNOZBFUPQCB-UHFFFAOYSA-N
XLogP1.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methyl-1,3-thiazol-5-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-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54963115) is 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ncc(CNC(=O)N2CSCC2C(=O)O)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BADWNOZBFUPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54963115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).