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

C6H6BrNOS — CID 66644881

IUPAC1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Br)nc1C
InChIInChI=1S/C6H6BrNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3
InChIKeyRZEIEXBCYWPGCZ-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.42
Rot. Bonds1

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

1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 66644881) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID66644881
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Br)nc1C
InChIInChI=1S/C6H6BrNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3
InChIKeyRZEIEXBCYWPGCZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 83881059
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
CID 141308569
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
CID 66647115
1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 45035351
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone (CID 66644881) is 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(Br)nc1C.
What is the InChIKey of 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RZEIEXBCYWPGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3.
What are the key properties of 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone?
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 220.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 66644881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).