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

C10H5BrFNO2S — CID 114905337

IUPAC2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C10H5BrFNO2S/c11-5-1-2-6(7(12)3-5)9-13-4-8(16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyBWQSUPHZBPXMKS-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.41
Rot. Bonds2

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

2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114905337) has the molecular formula C10H5BrFNO2S and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114905337
Molecular FormulaC10H5BrFNO2S
Molecular Weight302.12 g/mol
Exact Mass300.92
IUPAC Name2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C10H5BrFNO2S/c11-5-1-2-6(7(12)3-5)9-13-4-8(16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyBWQSUPHZBPXMKS-UHFFFAOYSA-N
XLogP3.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114905340
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
CID 114908199
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
CID 133061134
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78973993
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130592506
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074
bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
CID 150749355
2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
CID 63867793

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 114905337) is 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Br)cc2F)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BWQSUPHZBPXMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2S/c11-5-1-2-6(7(12)3-5)9-13-4-8(16-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 302.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114905337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).