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

C12H10BrNOS — CID 115796085

IUPAC1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cncs2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7H,5H2,1H3
InChIKeyMHEIZHGOVUTPQI-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.64
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 115796085) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID115796085
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cncs2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7H,5H2,1H3
InChIKeyMHEIZHGOVUTPQI-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(4-bromo-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796156
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone (CID 115796085) is 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone is Cc1ccc(C(=O)Cc2cncs2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is MHEIZHGOVUTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 296.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 115796085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).