2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C15H11F3N4O2S3 — CID 166109333

About 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 166109333) has the molecular formula C15H11F3N4O2S3 and a molecular weight of 432.47 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
• PubChem CID: 166109333
• Molecular Formula: C15H11F3N4O2S3
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.00
• IUPAC Name: 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
• SMILES: O=C(CSc1nccs1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
• InChI: InChI=1S/C15H11F3N4O2S3/c16-15(17,18)13-20-12(21-24-13)10-5-8-6-22(3-1-9(8)27-10)11(23)7-26-14-19-2-4-25-14/h2,4-5H,1,3,6-7H2
• InChIKey: ZAHXOTOQOLXFDU-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 72.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?

The IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 166109333) is 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?

The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is O=C(CSc1nccs1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1.

What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?

The InChIKey is ZAHXOTOQOLXFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S3/c16-15(17,18)13-20-12(21-24-13)10-5-8-6-22(3-1-9(8)27-10)11(23)7-26-14-19-2-4-25-14/h2,4-5H,1,3,6-7H2.

What are the key properties of 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?

2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 432.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-thiazol-2-ylsulfanyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166109333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).