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

C12H10F2N2OS — CID 79375410

IUPAC1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-8(13)3-9(14)5-10/h3-5,15H,1-2H3
InChIKeyVGDLAYSUWDEHGZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.68
Rot. Bonds3

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

1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375410) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375410
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-8(13)3-9(14)5-10/h3-5,15H,1-2H3
InChIKeyVGDLAYSUWDEHGZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375410) is 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is VGDLAYSUWDEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-8(13)3-9(14)5-10/h3-5,15H,1-2H3.
What are the key properties of 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 268.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).