N-(1-benzothiophen-3-yl)pyridin-3-amine

C13H10N2S — CID 25141124

IUPACN-(1-benzothiophen-3-yl)pyridin-3-amine
SMILESc1cncc(Nc2csc3ccccc23)c1
InChIInChI=1S/C13H10N2S/c1-2-6-13-11(5-1)12(9-16-13)15-10-4-3-7-14-8-10/h1-9,15H
InChIKeyLCTVADJHTMOQRD-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.04
Rot. Bonds2

About N-(1-benzothiophen-3-yl)pyridin-3-amine

N-(1-benzothiophen-3-yl)pyridin-3-amine (PubChem CID 25141124) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)pyridin-3-amine
PubChem CID25141124
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC NameN-(1-benzothiophen-3-yl)pyridin-3-amine
SMILESc1cncc(Nc2csc3ccccc23)c1
InChIInChI=1S/C13H10N2S/c1-2-6-13-11(5-1)12(9-16-13)15-10-4-3-7-14-8-10/h1-9,15H
InChIKeyLCTVADJHTMOQRD-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)pyridin-3-amine?
The IUPAC name of N-(1-benzothiophen-3-yl)pyridin-3-amine (CID 25141124) is N-(1-benzothiophen-3-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-yl)pyridin-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-yl)pyridin-3-amine is c1cncc(Nc2csc3ccccc23)c1.
What is the InChIKey of N-(1-benzothiophen-3-yl)pyridin-3-amine?
The InChIKey is LCTVADJHTMOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-6-13-11(5-1)12(9-16-13)15-10-4-3-7-14-8-10/h1-9,15H.
What are the key properties of N-(1-benzothiophen-3-yl)pyridin-3-amine?
N-(1-benzothiophen-3-yl)pyridin-3-amine has a molecular weight of 226.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)pyridin-3-amine is sourced from PubChem (CID 25141124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).