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

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Related Compounds

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
2-(2-bromophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114359471
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-(2-bromo-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 60926807
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-2-one
CID 116886477
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
2-[2-(2-hydroxyethylsulfanylmethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 94805116
2-[2-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22685107
2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62084807
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516

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).