(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine

C14H12N2S — CID 46228257

IUPAC(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine
SMILESNCc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H12N2S/c15-8-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-16-9-10/h1-7,9H,8,15H2
InChIKeyVAWXHMNFIJSEPD-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.42
Rot. Bonds2

About (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine

(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine (PubChem CID 46228257) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine
PubChem CID46228257
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine
SMILESNCc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H12N2S/c15-8-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-16-9-10/h1-7,9H,8,15H2
InChIKeyVAWXHMNFIJSEPD-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine (CID 46228257) is (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine is NCc1c(-c2cccnc2)sc2ccccc12.
What is the InChIKey of (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine?
The InChIKey is VAWXHMNFIJSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-8-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-16-9-10/h1-7,9H,8,15H2.
What are the key properties of (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine?
(2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yl-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 46228257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).