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

C14H12N2S — CID 134340568

IUPAC(6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2ccc(-c3cccnc3)cc2s1
InChIInChI=1S/C14H12N2S/c15-8-13-6-11-4-3-10(7-14(11)17-13)12-2-1-5-16-9-12/h1-7,9H,8,15H2
InChIKeyAUDKCQUQOWZECJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.42
Rot. Bonds2

About (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine

(6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine (PubChem CID 134340568) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine
PubChem CID134340568
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name(6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2ccc(-c3cccnc3)cc2s1
InChIInChI=1S/C14H12N2S/c15-8-13-6-11-4-3-10(7-14(11)17-13)12-2-1-5-16-9-12/h1-7,9H,8,15H2
InChIKeyAUDKCQUQOWZECJ-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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Related Compounds

(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine
CID 44388719
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
CID 11310529
n-Methyl-1-(thieno[2,3-b]pyridin-2-yl)methanamine
CID 7537465
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbothioic acid amide
CID 9922943
2-Thiophenecarboxaldehyde, 5-(3-pyridinyl)-, oxime
CID 11264173

Frequently Asked Questions

What is the IUPAC name of (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine (CID 134340568) is (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine is NCc1cc2ccc(-c3cccnc3)cc2s1.
What is the InChIKey of (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine?
The InChIKey is AUDKCQUQOWZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-8-13-6-11-4-3-10(7-14(11)17-13)12-2-1-5-16-9-12/h1-7,9H,8,15H2.
What are the key properties of (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine?
(6-pyridin-3-yl-1-benzothiophen-2-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 (6-pyridin-3-yl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 134340568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).