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

C25H22F3N3O2S — CID 166628114

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O2S/c26-25(27,28)18-5-3-6-19(13-18)29-23(32)14-31-10-8-16(9-11-31)24-30-20(15-34-24)22-12-17-4-1-2-7-21(17)33-22/h1-7,12-13,15-16H,8-11,14H2,(H,29,32)
InChIKeyWSIKWHROWIAPMO-UHFFFAOYSA-N
MW485.53 g/mol
LogP6.39
Rot. Bonds5

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

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 166628114) has the molecular formula C25H22F3N3O2S and a molecular weight of 485.53 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID166628114
Molecular FormulaC25H22F3N3O2S
Molecular Weight485.53 g/mol
Exact Mass485.14
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O2S/c26-25(27,28)18-5-3-6-19(13-18)29-23(32)14-31-10-8-16(9-11-31)24-30-20(15-34-24)22-12-17-4-1-2-7-21(17)33-22/h1-7,12-13,15-16H,8-11,14H2,(H,29,32)
InChIKeyWSIKWHROWIAPMO-UHFFFAOYSA-N
XLogP6.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 166628114) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WSIKWHROWIAPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S/c26-25(27,28)18-5-3-6-19(13-18)29-23(32)14-31-10-8-16(9-11-31)24-30-20(15-34-24)22-12-17-4-1-2-7-21(17)33-22/h1-7,12-13,15-16H,8-11,14H2,(H,29,32).
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 485.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166628114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).