2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid

C14H14BrNO2S — CID 114329432

IUPAC2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(-c2nc(C)c(CC(=O)O)s2)cc(C)c1Br
InChIInChI=1S/C14H14BrNO2S/c1-7-4-10(5-8(2)13(7)15)14-16-9(3)11(19-14)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyFZXCOCSJLRYJSC-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.12
Rot. Bonds3

About 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 114329432) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID114329432
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(-c2nc(C)c(CC(=O)O)s2)cc(C)c1Br
InChIInChI=1S/C14H14BrNO2S/c1-7-4-10(5-8(2)13(7)15)14-16-9(3)11(19-14)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyFZXCOCSJLRYJSC-UHFFFAOYSA-N
XLogP4.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662294
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]acetic acid
CID 64662696
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 65195789
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
2-(3,5-dimethylthiophen-2-yl)acetic acid
CID 21260742
ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid
CID 143069308
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 114329432) is 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1cc(-c2nc(C)c(CC(=O)O)s2)cc(C)c1Br.
What is the InChIKey of 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is FZXCOCSJLRYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-7-4-10(5-8(2)13(7)15)14-16-9(3)11(19-14)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 340.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 114329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).