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

C10H4BrCl2NO2S — CID 58094854

IUPAC2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Br)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H4BrCl2NO2S/c11-10-14-7(8(17-10)9(15)16)5-2-1-4(12)3-6(5)13/h1-3H,(H,15,16)
InChIKeyWPXRMMKVQYTURW-UHFFFAOYSA-N
MW353.02 g/mol
LogP4.58
Rot. Bonds2

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

2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58094854) has the molecular formula C10H4BrCl2NO2S and a molecular weight of 353.02 g/mol. Its IUPAC name is 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58094854
Molecular FormulaC10H4BrCl2NO2S
Molecular Weight353.02 g/mol
Exact Mass350.85
IUPAC Name2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Br)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H4BrCl2NO2S/c11-10-14-7(8(17-10)9(15)16)5-2-1-4(12)3-6(5)13/h1-3H,(H,15,16)
InChIKeyWPXRMMKVQYTURW-UHFFFAOYSA-N
XLogP4.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.02
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 66847284
2-(bromomethyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 141320592
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide
CID 142929209
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035980
3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229255
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid (CID 58094854) is 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Br)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WPXRMMKVQYTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2NO2S/c11-10-14-7(8(17-10)9(15)16)5-2-1-4(12)3-6(5)13/h1-3H,(H,15,16).
What are the key properties of 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid?
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 353.02 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58094854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).