3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one

C6H6F3NOS2 — CID 116622658

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCSC(F)(F)F
InChIInChI=1S/C6H6F3NOS2/c7-6(8,9)13-4-2-10-1-3-12-5(10)11/h1,3H,2,4H2
InChIKeyHJIGHOIIURUKNY-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.16
Rot. Bonds3

About 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one

3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one (PubChem CID 116622658) has the molecular formula C6H6F3NOS2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one
PubChem CID116622658
Molecular FormulaC6H6F3NOS2
Molecular Weight229.25 g/mol
Exact Mass228.98
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCSC(F)(F)F
InChIInChI=1S/C6H6F3NOS2/c7-6(8,9)13-4-2-10-1-3-12-5(10)11/h1,3H,2,4H2
InChIKeyHJIGHOIIURUKNY-UHFFFAOYSA-N
XLogP2.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Difluoromethyl)-1,3-thiazol-2-one
CID 15171125
[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone
CID 154321573
3-(Trifluoromethyl)-1,3-thiazol-2-one
CID 49781570
3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
3-(3,3,3-Trifluoropropyl)-1,3-thiazol-2-one
CID 115672986
3-(2,2-Difluoroethyl)-1,3-thiazol-2-one
CID 115749768
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-(4,4,4-Trifluorobutyl)-1,3-thiazol-2-one
CID 116622657
3-(2-Sulfanylethyl)-1,3-thiazol-2-one
CID 80033721
3-(2-Methylsulfanylethyl)-1,3-thiazol-2-one
CID 115749773

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one (CID 116622658) is 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one is O=c1sccn1CCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one?
The InChIKey is HJIGHOIIURUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS2/c7-6(8,9)13-4-2-10-1-3-12-5(10)11/h1,3H,2,4H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one?
3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one has a molecular weight of 229.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).