4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C16H17F3N2OS2 — CID 56946265

IUPAC4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H17F3N2OS2/c17-16(18,19)6-3-14(22)21-7-4-11(5-8-21)15-20-12(10-24-15)13-2-1-9-23-13/h1-2,9-11H,3-8H2
InChIKeyWPYOVYFGYUBPPN-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.92
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 56946265) has the molecular formula C16H17F3N2OS2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID56946265
Molecular FormulaC16H17F3N2OS2
Molecular Weight374.45 g/mol
Exact Mass374.07
IUPAC Name4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H17F3N2OS2/c17-16(18,19)6-3-14(22)21-7-4-11(5-8-21)15-20-12(10-24-15)13-2-1-9-23-13/h1-2,9-11H,3-8H2
InChIKeyWPYOVYFGYUBPPN-UHFFFAOYSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 56946265) is 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is WPYOVYFGYUBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS2/c17-16(18,19)6-3-14(22)21-7-4-11(5-8-21)15-20-12(10-24-15)13-2-1-9-23-13/h1-2,9-11H,3-8H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 374.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56946265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).