(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

C22H20F3N3O3S — CID 30377719

About (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 30377719) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 30377719
• Molecular Formula: C22H20F3N3O3S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.12
• IUPAC Name: (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCN(C(=O)c2ccco2)C1
• InChI: InChI=1S/C22H20F3N3O3S/c23-22(24,25)16-6-1-4-14(10-16)11-17-12-26-21(32-17)27-19(29)15-5-2-8-28(13-15)20(30)18-7-3-9-31-18/h1,3-4,6-7,9-10,12,15H,2,5,8,11,13H2,(H,26,27,29)/t15-/m1/s1
• InChIKey: GMCROROWPKQVDH-OAHLLOKOSA-N
• XLogP: 4.84
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 30377719) is (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCN(C(=O)c2ccco2)C1.

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

The InChIKey is GMCROROWPKQVDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c23-22(24,25)16-6-1-4-14(10-16)11-17-12-26-21(32-17)27-19(29)15-5-2-8-28(13-15)20(30)18-7-3-9-31-18/h1,3-4,6-7,9-10,12,15H,2,5,8,11,13H2,(H,26,27,29)/t15-/m1/s1.

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

(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 30377719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).