5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

C14H7BrClNO3S — CID 66161251

IUPAC5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3cc(Cl)ccc3Br)n2)c1
InChIInChI=1S/C14H7BrClNO3S/c15-10-2-1-8(16)4-9(10)13-17-11(6-21-13)12-3-7(5-20-12)14(18)19/h1-6H,(H,18,19)
InChIKeyDSCVWCLXLAEQCS-UHFFFAOYSA-N
MW384.64 g/mol
LogP5.18
Rot. Bonds3

About 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 66161251) has the molecular formula C14H7BrClNO3S and a molecular weight of 384.64 g/mol. Its IUPAC name is 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID66161251
Molecular FormulaC14H7BrClNO3S
Molecular Weight384.64 g/mol
Exact Mass382.90
IUPAC Name5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3cc(Cl)ccc3Br)n2)c1
InChIInChI=1S/C14H7BrClNO3S/c15-10-2-1-8(16)4-9(10)13-17-11(6-21-13)12-3-7(5-20-12)14(18)19/h1-6H,(H,18,19)
InChIKeyDSCVWCLXLAEQCS-UHFFFAOYSA-N
XLogP5.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-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 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 66161251) is 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(-c3cc(Cl)ccc3Br)n2)c1.
What is the InChIKey of 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is DSCVWCLXLAEQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3S/c15-10-2-1-8(16)4-9(10)13-17-11(6-21-13)12-3-7(5-20-12)14(18)19/h1-6H,(H,18,19).
What are the key properties of 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 384.64 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 66161251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).