2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C16H16N2S — CID 81144150

IUPAC2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1ccc(CC(N)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C16H16N2S/c1-11-2-4-12(5-3-11)8-14(17)13-9-16-15(18-10-13)6-7-19-16/h2-7,9-10,14H,8,17H2,1H3
InChIKeyUYACRUIBZLRYOD-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81144150) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81144150
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1ccc(CC(N)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C16H16N2S/c1-11-2-4-12(5-3-11)8-14(17)13-9-16-15(18-10-13)6-7-19-16/h2-7,9-10,14H,8,17H2,1H3
InChIKeyUYACRUIBZLRYOD-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
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3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81144150) is 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is Cc1ccc(CC(N)c2cnc3ccsc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is UYACRUIBZLRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-2-4-12(5-3-11)8-14(17)13-9-16-15(18-10-13)6-7-19-16/h2-7,9-10,14H,8,17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81144150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).