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

C8H10F2N2OS — CID 115409383

IUPAC1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)F
InChIInChI=1S/C8H10F2N2OS/c1-4-7(5(2)13)8(14-12-4)11-3-6(9)10/h6,11H,3H2,1-2H3
InChIKeyLIOLMUPSTGMZIY-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.33
Rot. Bonds4

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

1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 115409383) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID115409383
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC Name1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)F
InChIInChI=1S/C8H10F2N2OS/c1-4-7(5(2)13)8(14-12-4)11-3-6(9)10/h6,11H,3H2,1-2H3
InChIKeyLIOLMUPSTGMZIY-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 115409383) is 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC(F)F.
What is the InChIKey of 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is LIOLMUPSTGMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c1-4-7(5(2)13)8(14-12-4)11-3-6(9)10/h6,11H,3H2,1-2H3.
What are the key properties of 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 220.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoroethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 115409383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).