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

C12H9F2NOS — CID 62652802

IUPAC1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C12H9F2NOS/c1-7(16)11-6-15-12(17-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3
InChIKeyYBXBAUMNWLBSFO-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.21
Rot. Bonds3

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

1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 62652802) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID62652802
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C12H9F2NOS/c1-7(16)11-6-15-12(17-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3
InChIKeyYBXBAUMNWLBSFO-UHFFFAOYSA-N
XLogP3.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole derivative, 29c
CID 25023818
2,2,2-Trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanone
CID 17747369
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 608996
3-(Dimethylamino)-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 6184028
3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propanal O-methyloxime
CID 9638908
2-Benzyl-1,3-thiazole-5-carboxylic acid
CID 21391981
2-[(2-Fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 28473174
2-((4-Fluorophenyl)methyl)-1,3-thiazole-5-carboxylic acid
CID 43156419
2-(3-Fluorophenyl)thiazole-5-carbaldehyde
CID 45036825
2-(2-Fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 53403536
N-ethyl-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53557177
N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 56823924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone (CID 62652802) is 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(Cc2cc(F)cc(F)c2)s1.
What is the InChIKey of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is YBXBAUMNWLBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-7(16)11-6-15-12(17-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62652802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).