1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one

C6H4F3NOS — CID 112642294

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3H,1H2
InChIKeyAZJOTFGTKDPHSI-UHFFFAOYSA-N
MW195.16 g/mol
LogP1.82
Rot. Bonds2

About 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one

1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642294) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642294
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3H,1H2
InChIKeyAZJOTFGTKDPHSI-UHFFFAOYSA-N
XLogP1.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
4,4,4-Trifluoro-3-(1,3-thiazol-5-yl)butanamide
CID 121379015
5-(1,1-Difluoropropyl)-1,3-thiazole
CID 156707818
Trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate
CID 174754472
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477340
1-(1,3-Thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146912
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-one
CID 103147227
1-(1,3-Thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214343
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-one
CID 103311562
1-(2,2,3,3-Tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one
CID 103473773
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126185
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782436

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642294) is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cncs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is AZJOTFGTKDPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3H,1H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one?
1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 195.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).