2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H7BrClNO2S — CID 171374372

IUPAC2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(Br)ccc2Cl)=N1
InChIInChI=1S/C10H7BrClNO2S/c11-5-1-2-7(12)6(3-5)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15)
InChIKeyJQJATBUPPUONHM-UHFFFAOYSA-N
MW320.60 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374372) has the molecular formula C10H7BrClNO2S and a molecular weight of 320.60 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374372
Molecular FormulaC10H7BrClNO2S
Molecular Weight320.60 g/mol
Exact Mass318.91
IUPAC Name2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(Br)ccc2Cl)=N1
InChIInChI=1S/C10H7BrClNO2S/c11-5-1-2-7(12)6(3-5)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15)
InChIKeyJQJATBUPPUONHM-UHFFFAOYSA-N
XLogP3.05
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-chlorophenyl)-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

Related Compounds

CID 171374348
CID 171374348
CID 171374360
CID 171374360
CID 171374365
CID 171374365
CID 171374403
CID 171374403
CID 171374442
CID 171374442
CID 69630954
CID 69630954
CID 84813495
CID 84813495
CID 169178539
CID 169178539
CID 169178556
CID 169178556
CID 169178563
CID 169178563
CID 171374322
CID 171374322
CID 171374363
CID 171374363

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374372) is 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2cc(Br)ccc2Cl)=N1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is JQJATBUPPUONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2S/c11-5-1-2-7(12)6(3-5)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 320.60 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).