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

C7H7F2NOS — CID 59858036

IUPAC1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C)nc1C(F)F
InChIInChI=1S/C7H7F2NOS/c1-3(11)6-5(7(8)9)10-4(2)12-6/h7H,1-2H3
InChIKeyIAVYOCAOCGWCGI-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.59
Rot. Bonds2

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

1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 59858036) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID59858036
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C)nc1C(F)F
InChIInChI=1S/C7H7F2NOS/c1-3(11)6-5(7(8)9)10-4(2)12-6/h7H,1-2H3
InChIKeyIAVYOCAOCGWCGI-UHFFFAOYSA-N
XLogP2.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone (CID 59858036) is 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is IAVYOCAOCGWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c1-3(11)6-5(7(8)9)10-4(2)12-6/h7H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 191.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 59858036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).