1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone

C11H6F3NOS2 — CID 91655408

IUPAC1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H6F3NOS2/c12-11(13,14)18-8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H
InChIKeyCKOFOYYTRPYXRW-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.99
Rot. Bonds3

About 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone

1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 91655408) has the molecular formula C11H6F3NOS2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID91655408
Molecular FormulaC11H6F3NOS2
Molecular Weight289.30 g/mol
Exact Mass288.98
IUPAC Name1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H6F3NOS2/c12-11(13,14)18-8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H
InChIKeyCKOFOYYTRPYXRW-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone (CID 91655408) is 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1ccc(SC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is CKOFOYYTRPYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS2/c12-11(13,14)18-8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H.
What are the key properties of 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone?
1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 289.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 91655408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).