2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine

C16H20N2S2 — CID 43131510

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCc3sccc3C2)cc1
InChIInChI=1S/C16H20N2S2/c1-19-14-4-2-12(3-5-14)15(10-17)18-8-6-16-13(11-18)7-9-20-16/h2-5,7,9,15H,6,8,10-11,17H2,1H3
InChIKeyIZKMCDVXIMYVKG-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.53
Rot. Bonds4

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 43131510) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID43131510
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCc3sccc3C2)cc1
InChIInChI=1S/C16H20N2S2/c1-19-14-4-2-12(3-5-14)15(10-17)18-8-6-16-13(11-18)7-9-20-16/h2-5,7,9,15H,6,8,10-11,17H2,1H3
InChIKeyIZKMCDVXIMYVKG-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine (CID 43131510) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(CN)N2CCc3sccc3C2)cc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is IZKMCDVXIMYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-19-14-4-2-12(3-5-14)15(10-17)18-8-6-16-13(11-18)7-9-20-16/h2-5,7,9,15H,6,8,10-11,17H2,1H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43131510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).