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

C12H10BrNO2S — CID 82308937

IUPAC1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1ccc(Br)cc1-c1csc(C(C)=O)n1
InChIInChI=1S/C12H10BrNO2S/c1-7(15)12-14-10(6-17-12)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3
InChIKeyMEKVJGDESMBSSO-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.78
Rot. Bonds3

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

1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 82308937) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID82308937
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1ccc(Br)cc1-c1csc(C(C)=O)n1
InChIInChI=1S/C12H10BrNO2S/c1-7(15)12-14-10(6-17-12)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3
InChIKeyMEKVJGDESMBSSO-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629
3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (CID 82308937) is 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is COc1ccc(Br)cc1-c1csc(C(C)=O)n1.
What is the InChIKey of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is MEKVJGDESMBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-7(15)12-14-10(6-17-12)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3.
What are the key properties of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 312.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 82308937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).