2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C11H8BrNO2S — CID 43155311

IUPAC2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2Br)sc1C(=O)O
InChIInChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKeyMYMPOHMGSSLZEL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 43155311) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID43155311
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2Br)sc1C(=O)O
InChIInChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKeyMYMPOHMGSSLZEL-UHFFFAOYSA-N
XLogP3.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-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-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 43155311) is 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccccc2Br)sc1C(=O)O.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MYMPOHMGSSLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).