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

C12H9F2NOS — CID 116867514

IUPAC1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C12H9F2NOS/c1-6(16)12-15-11(7(2)17-12)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3
InChIKeyRGZPMWLBILNWMJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.60
Rot. Bonds2

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

1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 116867514) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID116867514
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C12H9F2NOS/c1-6(16)12-15-11(7(2)17-12)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3
InChIKeyRGZPMWLBILNWMJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63524041
1-[4-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867522
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 24648633
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
1-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]ethanone
CID 176740623
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 2511053
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 40986682
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16596091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone (CID 116867514) is 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is RGZPMWLBILNWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-6(16)12-15-11(7(2)17-12)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 116867514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).