5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine

C14H12N2S — CID 81153928

IUPAC5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1cccc2ccsc12
InChIInChI=1S/C14H12N2S/c1-9-11(5-6-13(15)16-9)12-4-2-3-10-7-8-17-14(10)12/h2-8H,1H3,(H2,15,16)
InChIKeyWBTBOOKJYDXRNS-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

About 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine

5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine (PubChem CID 81153928) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine
PubChem CID81153928
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1cccc2ccsc12
InChIInChI=1S/C14H12N2S/c1-9-11(5-6-13(15)16-9)12-4-2-3-10-7-8-17-14(10)12/h2-8H,1H3,(H2,15,16)
InChIKeyWBTBOOKJYDXRNS-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine?
The IUPAC name of 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine (CID 81153928) is 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine?
The canonical SMILES for 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine is Cc1nc(N)ccc1-c1cccc2ccsc12.
What is the InChIKey of 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine?
The InChIKey is WBTBOOKJYDXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-11(5-6-13(15)16-9)12-4-2-3-10-7-8-17-14(10)12/h2-8H,1H3,(H2,15,16).
What are the key properties of 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine?
5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine has a molecular weight of 240.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-7-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 81153928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).