2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C22H22F3N3OS2 — CID 55946644

IUPAC2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N3OS2/c23-22(24,25)16-4-1-3-15(11-16)13-28-8-6-17(7-9-28)26-20(29)12-18-14-31-21(27-18)19-5-2-10-30-19/h1-5,10-11,14,17H,6-9,12-13H2,(H,26,29)
InChIKeyIQZJVHHPMHBWJO-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.21
Rot. Bonds6

About 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 55946644) has the molecular formula C22H22F3N3OS2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID55946644
Molecular FormulaC22H22F3N3OS2
Molecular Weight465.57 g/mol
Exact Mass465.12
IUPAC Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N3OS2/c23-22(24,25)16-4-1-3-15(11-16)13-28-8-6-17(7-9-28)26-20(29)12-18-14-31-21(27-18)19-5-2-10-30-19/h1-5,10-11,14,17H,6-9,12-13H2,(H,26,29)
InChIKeyIQZJVHHPMHBWJO-UHFFFAOYSA-N
XLogP5.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 55946644) is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is O=C(Cc1csc(-c2cccs2)n1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is IQZJVHHPMHBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3OS2/c23-22(24,25)16-4-1-3-15(11-16)13-28-8-6-17(7-9-28)26-20(29)12-18-14-31-21(27-18)19-5-2-10-30-19/h1-5,10-11,14,17H,6-9,12-13H2,(H,26,29).
What are the key properties of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 465.57 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55946644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).