N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide

C23H32F2N6O2S — CID 155347274

About N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide

N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide (PubChem CID 155347274) has the molecular formula C23H32F2N6O2S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide
• PubChem CID: 155347274
• Molecular Formula: C23H32F2N6O2S
• Molecular Weight: 494.61 g/mol
• Exact Mass: 494.23
• IUPAC Name: N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide
• SMILES: Cn1ncc(CC(=O)/N=C/C2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
• InChI: InChI=1S/C23H32F2N6O2S/c1-23(24,25)15-33-22-28-19-14-31(10-8-20(19)34-22)9-7-16-3-5-17(6-4-16)12-26-21(32)11-18-13-27-30(2)29-18/h12-13,16-17H,3-11,14-15H2,1-2H3/b26-12+
• InChIKey: DZTYEGJYXNDHFX-RPPGKUMJSA-N
• XLogP: 3.70
• TPSA: 85.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.61
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide?

The IUPAC name of N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide (CID 155347274) is N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide.

What is the SMILES notation for N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide?

The canonical SMILES for N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide is Cn1ncc(CC(=O)/N=C/C2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1.

What is the InChIKey of N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide?

The InChIKey is DZTYEGJYXNDHFX-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H32F2N6O2S/c1-23(24,25)15-33-22-28-19-14-31(10-8-20(19)34-22)9-7-16-3-5-17(6-4-16)12-26-21(32)11-18-13-27-30(2)29-18/h12-13,16-17H,3-11,14-15H2,1-2H3/b26-12+.

What are the key properties of N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide?

N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide has a molecular weight of 494.61 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 155347274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).