1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C13H12BrNOS — CID 66481650

IUPAC1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Br)c(C)c2)nc1C
InChIInChI=1S/C13H12BrNOS/c1-7-6-10(4-5-11(7)14)13-15-8(2)12(17-13)9(3)16/h4-6H,1-3H3
InChIKeyDZTHCPRMKPDYFY-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.39
Rot. Bonds2

About 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 66481650) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID66481650
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Br)c(C)c2)nc1C
InChIInChI=1S/C13H12BrNOS/c1-7-6-10(4-5-11(7)14)13-15-8(2)12(17-13)9(3)16/h4-6H,1-3H3
InChIKeyDZTHCPRMKPDYFY-UHFFFAOYSA-N
XLogP4.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
2-(4-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360511
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 66478870
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
1-[4-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 107105066
4-methyl-2-(3-methyl-4-propan-2-ylsulfanylphenyl)-1,3-thiazole-5-carboxylic acid
CID 139312258
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 66481650) is 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(Br)c(C)c2)nc1C.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is DZTHCPRMKPDYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-7-6-10(4-5-11(7)14)13-15-8(2)12(17-13)9(3)16/h4-6H,1-3H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 310.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 66481650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).