N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C20H24F3N5OS — CID 78875180

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 78875180) has the molecular formula C20H24F3N5OS and a molecular weight of 439.51 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 78875180
• Molecular Formula: C20H24F3N5OS
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.17
• IUPAC Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: CCN1CCc2nc(NC(=O)C3CCCN(c4ncccc4C(F)(F)F)C3)sc2C1
• InChI: InChI=1S/C20H24F3N5OS/c1-2-27-10-7-15-16(12-27)30-19(25-15)26-18(29)13-5-4-9-28(11-13)17-14(20(21,22)23)6-3-8-24-17/h3,6,8,13H,2,4-5,7,9-12H2,1H3,(H,25,26,29)
• InChIKey: ZRQCTIOHSCZXFE-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 78875180) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CCN1CCc2nc(NC(=O)C3CCCN(c4ncccc4C(F)(F)F)C3)sc2C1.

What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is ZRQCTIOHSCZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5OS/c1-2-27-10-7-15-16(12-27)30-19(25-15)26-18(29)13-5-4-9-28(11-13)17-14(20(21,22)23)6-3-8-24-17/h3,6,8,13H,2,4-5,7,9-12H2,1H3,(H,25,26,29).

What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 78875180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).