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

C6H5F2NOS — CID 84767281

IUPAC1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C6H5F2NOS/c1-3(10)4-2-9-6(11-4)5(7)8/h2,5H,1H3
InChIKeyGJMILGKMCCYMBK-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.28
Rot. Bonds2

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

1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 84767281) has the molecular formula C6H5F2NOS and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID84767281
Molecular FormulaC6H5F2NOS
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C6H5F2NOS/c1-3(10)4-2-9-6(11-4)5(7)8/h2,5H,1H3
InChIKeyGJMILGKMCCYMBK-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 84767281) is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(C(F)F)s1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is GJMILGKMCCYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS/c1-3(10)4-2-9-6(11-4)5(7)8/h2,5H,1H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 177.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 84767281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).