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

C13H12F2N2OS — CID 79364544

IUPAC1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2OS/c1-7-12(8(2)18)13(19-17-7)16-6-9-5-10(14)3-4-11(9)15/h3-5,16H,6H2,1-2H3
InChIKeyPSOJMAGRXNEINR-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.54
Rot. Bonds4

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

1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79364544) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79364544
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2OS/c1-7-12(8(2)18)13(19-17-7)16-6-9-5-10(14)3-4-11(9)15/h3-5,16H,6H2,1-2H3
InChIKeyPSOJMAGRXNEINR-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376448
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380643
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363807
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79364544) is 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1cc(F)ccc1F.
What is the InChIKey of 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is PSOJMAGRXNEINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-7-12(8(2)18)13(19-17-7)16-6-9-5-10(14)3-4-11(9)15/h3-5,16H,6H2,1-2H3.
What are the key properties of 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 282.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).