[6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C15H10ClFN4O2S2 — CID 163251877

About [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251877) has the molecular formula C15H10ClFN4O2S2 and a molecular weight of 396.86 g/mol. Its IUPAC name is [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

• Compound Name: [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
• PubChem CID: 163251877
• Molecular Formula: C15H10ClFN4O2S2
• Molecular Weight: 396.86 g/mol
• Exact Mass: 395.99
• IUPAC Name: [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
• SMILES: COc1nc2ncsc2c(OC)c1-c1cn(SF)c2nc(Cl)ccc12
• InChI: InChI=1S/C15H10ClFN4O2S2/c1-22-11-10(15(23-2)20-13-12(11)24-6-18-13)8-5-21(25-17)14-7(8)3-4-9(16)19-14/h3-6H,1-2H3
• InChIKey: YVUACOCFCGBGJV-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 62.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.86
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The IUPAC name of [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251877) is [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

What is the SMILES notation for [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The canonical SMILES for [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1nc2ncsc2c(OC)c1-c1cn(SF)c2nc(Cl)ccc12.

What is the InChIKey of [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

The InChIKey is YVUACOCFCGBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O2S2/c1-22-11-10(15(23-2)20-13-12(11)24-6-18-13)8-5-21(25-17)14-7(8)3-4-9(16)19-14/h3-6H,1-2H3.

What are the key properties of [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?

[6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 396.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).