1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

C22H20F3N3O3S2 — CID 46559190

About 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 46559190) has the molecular formula C22H20F3N3O3S2 and a molecular weight of 495.55 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 46559190
• Molecular Formula: C22H20F3N3O3S2
• Molecular Weight: 495.55 g/mol
• Exact Mass: 495.09
• IUPAC Name: 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CCCN(C(=O)c2cccs2)C1
• InChI: InChI=1S/C22H20F3N3O3S2/c23-22(24,25)31-16-7-5-14(6-8-16)11-17-12-26-21(33-17)27-19(29)15-3-1-9-28(13-15)20(30)18-4-2-10-32-18/h2,4-8,10,12,15H,1,3,9,11,13H2,(H,26,27,29)
• InChIKey: ISVQNAILGBOYID-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 46559190) is 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CCCN(C(=O)c2cccs2)C1.

What is the InChIKey of 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is ISVQNAILGBOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S2/c23-22(24,25)31-16-7-5-14(6-8-16)11-17-12-26-21(33-17)27-19(29)15-3-1-9-28(13-15)20(30)18-4-2-10-32-18/h2,4-8,10,12,15H,1,3,9,11,13H2,(H,26,27,29).

What are the key properties of 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?

1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 46559190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).