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

C11H7BrClNO3S — CID 66847284

IUPAC2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1nc(Br)sc1C(=O)O
InChIInChI=1S/C11H7BrClNO3S/c1-17-7-3-2-5(13)4-6(7)8-9(10(15)16)18-11(12)14-8/h2-4H,1H3,(H,15,16)
InChIKeySCFGCJCJGCDAEX-UHFFFAOYSA-N
MW348.61 g/mol
LogP3.93
Rot. Bonds3

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

2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66847284) has the molecular formula C11H7BrClNO3S and a molecular weight of 348.61 g/mol. Its IUPAC name is 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID66847284
Molecular FormulaC11H7BrClNO3S
Molecular Weight348.61 g/mol
Exact Mass346.90
IUPAC Name2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1nc(Br)sc1C(=O)O
InChIInChI=1S/C11H7BrClNO3S/c1-17-7-3-2-5(13)4-6(7)8-9(10(15)16)18-11(12)14-8/h2-4H,1H3,(H,15,16)
InChIKeySCFGCJCJGCDAEX-UHFFFAOYSA-N
XLogP3.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 39219209
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 66847284) is 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(Cl)cc1-c1nc(Br)sc1C(=O)O.
What is the InChIKey of 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SCFGCJCJGCDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO3S/c1-17-7-3-2-5(13)4-6(7)8-9(10(15)16)18-11(12)14-8/h2-4H,1H3,(H,15,16).
What are the key properties of 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 348.61 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66847284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).