2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C9H11ClN2O2S2 — CID 53270056

IUPAC2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cnc(Cl)s2)NC1C(=O)O
InChIInChI=1S/C9H11ClN2O2S2/c1-9(2)5(7(13)14)12-6(16-9)4-3-11-8(10)15-4/h3,5-6,12H,1-2H3,(H,13,14)
InChIKeyQQIBDLGQHSSGRR-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.36
Rot. Bonds2

About 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270056) has the molecular formula C9H11ClN2O2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270056
Molecular FormulaC9H11ClN2O2S2
Molecular Weight278.79 g/mol
Exact Mass278.00
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cnc(Cl)s2)NC1C(=O)O
InChIInChI=1S/C9H11ClN2O2S2/c1-9(2)5(7(13)14)12-6(16-9)4-3-11-8(10)15-4/h3,5-6,12H,1-2H3,(H,13,14)
InChIKeyQQIBDLGQHSSGRR-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-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-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53270056) is 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2cnc(Cl)s2)NC1C(=O)O.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QQIBDLGQHSSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S2/c1-9(2)5(7(13)14)12-6(16-9)4-3-11-8(10)15-4/h3,5-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 278.79 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).