2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone

C5H3F2NOS — CID 86658234

IUPAC2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(c1nccs1)C(F)F
InChIInChI=1S/C5H3F2NOS/c6-4(7)3(9)5-8-1-2-10-5/h1-2,4H
InChIKeySYGNWJWWKRNRJF-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.59
Rot. Bonds2

About 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone

2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 86658234) has the molecular formula C5H3F2NOS and a molecular weight of 163.15 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone
PubChem CID86658234
Molecular FormulaC5H3F2NOS
Molecular Weight163.15 g/mol
Exact Mass162.99
IUPAC Name2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(c1nccs1)C(F)F
InChIInChI=1S/C5H3F2NOS/c6-4(7)3(9)5-8-1-2-10-5/h1-2,4H
InChIKeySYGNWJWWKRNRJF-UHFFFAOYSA-N
XLogP1.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylthiazole
CID 520108
2-Propionylthiazole
CID 65288
2-Bromo-1-(1,3-thiazol-2-yl)ethan-1-one
CID 2795212
1-Thiazol-2-yl-butan-1-one
CID 22291405
2-Amino-1-(1,3-thiazol-2-yl)ethan-1-one hydrochloride
CID 69588562
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 23644661
Ethanone, 2-amino-1-(2-thiazolyl)-
CID 45121815
2-(Trichloroacetyl)thiazole
CID 13032466
2-(2,2,2-Trifluoroethyl)-1,3-thiazole hydrobromide
CID 137963774
Di(2-thiazolyl)methanone
CID 13331906
1-(1,3-Thiazol-2-yl)prop-2-yn-1-one
CID 45121799
1-(1,3-Thiazol-2-yl)prop-2-en-1-one
CID 118245223

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone (CID 86658234) is 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone is O=C(c1nccs1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is SYGNWJWWKRNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NOS/c6-4(7)3(9)5-8-1-2-10-5/h1-2,4H.
What are the key properties of 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone?
2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 163.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 86658234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).