[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C15H11FN4OS2 — CID 163251248

IUPAC[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1cc2ncsc2cc1-c1cn(SF)c2nc(N)ccc12
InChIInChI=1S/C15H11FN4OS2/c1-21-12-5-11-13(22-7-18-11)4-9(12)10-6-20(23-16)15-8(10)2-3-14(17)19-15/h2-7H,1H3,(H2,17,19)
InChIKeyYJINSZBMKYIFTI-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.28
Rot. Bonds3

About [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251248) has the molecular formula C15H11FN4OS2 and a molecular weight of 346.41 g/mol. Its IUPAC name is [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID163251248
Molecular FormulaC15H11FN4OS2
Molecular Weight346.41 g/mol
Exact Mass346.04
IUPAC Name[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1cc2ncsc2cc1-c1cn(SF)c2nc(N)ccc12
InChIInChI=1S/C15H11FN4OS2/c1-21-12-5-11-13(22-7-18-11)4-9(12)10-6-20(23-16)15-8(10)2-3-14(17)19-15/h2-7H,1H3,(H2,17,19)
InChIKeyYJINSZBMKYIFTI-UHFFFAOYSA-N
XLogP4.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251248) is [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1cc2ncsc2cc1-c1cn(SF)c2nc(N)ccc12.
What is the InChIKey of [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is YJINSZBMKYIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS2/c1-21-12-5-11-13(22-7-18-11)4-9(12)10-6-20(23-16)15-8(10)2-3-14(17)19-15/h2-7H,1H3,(H2,17,19).
What are the key properties of [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 346.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).