6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine

C16H16N2S — CID 155778424

IUPAC6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
SMILESCCc1nc(N)ccc1-c1c(C)sc2ccccc12
InChIInChI=1S/C16H16N2S/c1-3-13-11(8-9-15(17)18-13)16-10(2)19-14-7-5-4-6-12(14)16/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyWFDAFOYIYQFDDX-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.42
Rot. Bonds2

About 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine

6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine (PubChem CID 155778424) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
PubChem CID155778424
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
SMILESCCc1nc(N)ccc1-c1c(C)sc2ccccc12
InChIInChI=1S/C16H16N2S/c1-3-13-11(8-9-15(17)18-13)16-10(2)19-14-7-5-4-6-12(14)16/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyWFDAFOYIYQFDDX-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine?
The IUPAC name of 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine (CID 155778424) is 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine?
The canonical SMILES for 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine is CCc1nc(N)ccc1-c1c(C)sc2ccccc12.
What is the InChIKey of 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine?
The InChIKey is WFDAFOYIYQFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-3-13-11(8-9-15(17)18-13)16-10(2)19-14-7-5-4-6-12(14)16/h4-9H,3H2,1-2H3,(H2,17,18).
What are the key properties of 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine?
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine is sourced from PubChem (CID 155778424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).