[1]benzothiolo[2,3-c]pyridin-7-amine

C11H8N2S — CID 118861170

IUPAC[1]benzothiolo[2,3-c]pyridin-7-amine
SMILESNc1ccc2c(c1)sc1cnccc12
InChIInChI=1S/C11H8N2S/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6H,12H2
InChIKeyJVDGNKWURJTMRP-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.03
Rot. Bonds

About [1]benzothiolo[2,3-c]pyridin-7-amine

[1]benzothiolo[2,3-c]pyridin-7-amine (PubChem CID 118861170) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-7-amine
PubChem CID118861170
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name[1]benzothiolo[2,3-c]pyridin-7-amine
SMILESNc1ccc2c(c1)sc1cnccc12
InChIInChI=1S/C11H8N2S/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6H,12H2
InChIKeyJVDGNKWURJTMRP-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[2,3-c]pyridin-7-amine?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-7-amine (CID 118861170) is [1]benzothiolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-7-amine?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-7-amine is Nc1ccc2c(c1)sc1cnccc12.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-7-amine?
The InChIKey is JVDGNKWURJTMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6H,12H2.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-7-amine?
[1]benzothiolo[2,3-c]pyridin-7-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[2,3-c]pyridin-7-amine is sourced from PubChem (CID 118861170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).