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

C11H8N2S — CID 118860905

IUPAC[1]benzothiolo[2,3-b]pyridin-8-amine
SMILESNc1cccc2c1sc1ncccc12
InChIInChI=1S/C11H8N2S/c12-9-5-1-3-7-8-4-2-6-13-11(8)14-10(7)9/h1-6H,12H2
InChIKeyNATUAACUMIBVOI-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.03
Rot. Bonds

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

[1]benzothiolo[2,3-b]pyridin-8-amine (PubChem CID 118860905) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b]pyridin-8-amine.

Molecular Properties

Compound Name[1]benzothiolo[2,3-b]pyridin-8-amine
PubChem CID118860905
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name[1]benzothiolo[2,3-b]pyridin-8-amine
SMILESNc1cccc2c1sc1ncccc12
InChIInChI=1S/C11H8N2S/c12-9-5-1-3-7-8-4-2-6-13-11(8)14-10(7)9/h1-6H,12H2
InChIKeyNATUAACUMIBVOI-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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Related Compounds

8-thia-4,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-amine
CID 134481281
8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293756
8-[3-[3-[3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 177115867
N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 121295292
6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250519
2-iminopyrido[3,2-e][1,3]thiazin-4-amine
CID 3357838
4,6-dichloro-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 87207660
2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
CID 89447556
8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
CID 170293421
2-(furan-2-yl)thieno[2,3-b]pyridin-3-amine
CID 119087007
6-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 71072826
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-8-amine
CID 168737988

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b]pyridin-8-amine?
The IUPAC name of [1]benzothiolo[2,3-b]pyridin-8-amine (CID 118860905) is [1]benzothiolo[2,3-b]pyridin-8-amine.
What is the SMILES notation for [1]benzothiolo[2,3-b]pyridin-8-amine?
The canonical SMILES for [1]benzothiolo[2,3-b]pyridin-8-amine is Nc1cccc2c1sc1ncccc12.
What is the InChIKey of [1]benzothiolo[2,3-b]pyridin-8-amine?
The InChIKey is NATUAACUMIBVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-9-5-1-3-7-8-4-2-6-13-11(8)14-10(7)9/h1-6H,12H2.
What are the key properties of [1]benzothiolo[2,3-b]pyridin-8-amine?
[1]benzothiolo[2,3-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[2,3-b]pyridin-8-amine is sourced from PubChem (CID 118860905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).