[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C₁₄H₈ClFN₄OS₂ — CID 163251710

About [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251710) has the molecular formula C₁₄H₈ClFN₄OS₂ and a molecular weight of 366.83 g/mol. Its IUPAC name is [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

• Compound Name: [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
• PubChem CID: 163251710
• Molecular Formula: C₁₄H₈ClFN₄OS₂
• Molecular Weight: 366.83 g/mol
• Exact Mass: 365.98
• IUPAC Name: [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
• SMILES: COc1nc2scnc2cc1-c1cn(SF)c2nc(Cl)ccc12
• InChI: InChI=1S/C14H8ClFN4OS2/c1-21-13-8(4-10-14(19-13)22-6-17-10)9-5-20(23-16)12-7(9)2-3-11(15)18-12/h2-6H,1H3
• InChIKey: YFSYFIXFNDQUEG-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 52.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.83
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The IUPAC name of [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251710) is [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

What is the SMILES notation for [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The canonical SMILES for [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1nc2scnc2cc1-c1cn(SF)c2nc(Cl)ccc12.

What is the InChIKey of [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The InChIKey is YFSYFIXFNDQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4OS2/c1-21-13-8(4-10-14(19-13)22-6-17-10)9-5-20(23-16)12-7(9)2-3-11(15)18-12/h2-6H,1H3.

What are the key properties of [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 366.83 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163251710 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.