ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

C8H10F3NOS — CID 171502262

IUPACethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC.CC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-12-5(10-4)6(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyJDLRBYCHIKFYMB-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.39
Rot. Bonds1

About ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 171502262) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID171502262
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Nameethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC.CC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-12-5(10-4)6(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyJDLRBYCHIKFYMB-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one
CID 20560352
2-Acetyl-4-ethylthiazole
CID 45086015
1-(Thiazol-4-yl)ethanone
CID 3348031
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-one
CID 1475027
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CID 53402794
1-(2-Chloro-1,3-thiazol-4-yl)ethan-1-one
CID 53444051
1-(2-Bromo-1,3-thiazol-4-yl)ethan-1-one
CID 58924902
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CID 64544412
3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 5704059
2-(1,1-Difluoroethyl)-1,3-thiazole-4-carbaldehyde
CID 84767278
1-[2-(Chloromethyl)-1,3-thiazol-4-yl]ethan-1-one
CID 167728927

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 171502262) is ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is CC.CC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is JDLRBYCHIKFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-12-5(10-4)6(7,8)9;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 225.23 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 171502262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).