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

C10H4BrClFNO2S — CID 106510196

IUPAC2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4BrClFNO2S/c11-10-14-7(9(15)16)8(17-10)4-1-5(12)3-6(13)2-4/h1-3H,(H,15,16)
InChIKeyHEUJAPAOYZNGOY-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.06
Rot. Bonds2

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

2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510196) has the molecular formula C10H4BrClFNO2S and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510196
Molecular FormulaC10H4BrClFNO2S
Molecular Weight336.57 g/mol
Exact Mass334.88
IUPAC Name2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4BrClFNO2S/c11-10-14-7(9(15)16)8(17-10)4-1-5(12)3-6(13)2-4/h1-3H,(H,15,16)
InChIKeyHEUJAPAOYZNGOY-UHFFFAOYSA-N
XLogP4.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichlorophenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510928
6-amino-3-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
CID 53229415
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192
2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510033
3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090636
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
2-bromo-5-[3-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510244
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
3-(3-chloro-5-fluorophenyl)-5-fluoro-4-methylbenzoic acid
CID 176508653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 106510196) is 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Br)sc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HEUJAPAOYZNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFNO2S/c11-10-14-7(9(15)16)8(17-10)4-1-5(12)3-6(13)2-4/h1-3H,(H,15,16).
What are the key properties of 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 336.57 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-chloro-5-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).