[1]benzothiolo[3,2-b]pyridin-8-amine

C11H8N2S — CID 12778062

IUPAC[1]benzothiolo[3,2-b]pyridin-8-amine
SMILESNc1ccc2sc3cccnc3c2c1
InChIInChI=1S/C11H8N2S/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H,12H2
InChIKeyDXEVBGOVDYEJMG-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.03
Rot. Bonds

About [1]benzothiolo[3,2-b]pyridin-8-amine

[1]benzothiolo[3,2-b]pyridin-8-amine (PubChem CID 12778062) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b]pyridin-8-amine.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b]pyridin-8-amine
PubChem CID12778062
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name[1]benzothiolo[3,2-b]pyridin-8-amine
SMILESNc1ccc2sc3cccnc3c2c1
InChIInChI=1S/C11H8N2S/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H,12H2
InChIKeyDXEVBGOVDYEJMG-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b]pyridin-8-amine?
The IUPAC name of [1]benzothiolo[3,2-b]pyridin-8-amine (CID 12778062) is [1]benzothiolo[3,2-b]pyridin-8-amine.
What is the SMILES notation for [1]benzothiolo[3,2-b]pyridin-8-amine?
The canonical SMILES for [1]benzothiolo[3,2-b]pyridin-8-amine is Nc1ccc2sc3cccnc3c2c1.
What is the InChIKey of [1]benzothiolo[3,2-b]pyridin-8-amine?
The InChIKey is DXEVBGOVDYEJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H,12H2.
What are the key properties of [1]benzothiolo[3,2-b]pyridin-8-amine?
[1]benzothiolo[3,2-b]pyridin-8-amine has a molecular weight of 200.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b]pyridin-8-amine is sourced from PubChem (CID 12778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).