(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H7Cl2NO2S — CID 169178556

IUPAC(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C10H7Cl2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-/m0/s1
InChIKeyLKTYBJMXBDSNKM-ZETCQYMHSA-N
MW276.14 g/mol
LogP2.94
Rot. Bonds2

About (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 169178556) has the molecular formula C10H7Cl2NO2S and a molecular weight of 276.14 g/mol. Its IUPAC name is (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID169178556
Molecular FormulaC10H7Cl2NO2S
Molecular Weight276.14 g/mol
Exact Mass274.96
IUPAC Name(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C10H7Cl2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-/m0/s1
InChIKeyLKTYBJMXBDSNKM-ZETCQYMHSA-N
XLogP2.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-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 (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 169178556) is (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2c(Cl)cccc2Cl)=N1.
What is the InChIKey of (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is LKTYBJMXBDSNKM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 169178556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).