[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

IUPAC[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1nc2scnc2cc1-c1cn(SF)c2nc(Cl)ccc12
InChIInChI=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
InChIKeyYFSYFIXFNDQUEG-UHFFFAOYSA-N
MW366.83 g/mol
LogP4.75
Rot. Bonds3

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 CID163251710
Molecular FormulaC14H8ClFN4OS2
Molecular Weight366.83 g/mol
Exact Mass365.98
IUPAC Name[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1nc2scnc2cc1-c1cn(SF)c2nc(Cl)ccc12
InChIInChI=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
InChIKeyYFSYFIXFNDQUEG-UHFFFAOYSA-N
XLogP4.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).