N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine

C16H16N2S — CID 112730428

IUPACN-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCc1ccccc1CCNc1nccc2sccc12
InChIInChI=1S/C16H16N2S/c1-12-4-2-3-5-13(12)6-9-17-16-14-8-11-19-15(14)7-10-18-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,18)
InChIKeyDIEDFLSVJJSYMK-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine

N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 112730428) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
PubChem CID112730428
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCc1ccccc1CCNc1nccc2sccc12
InChIInChI=1S/C16H16N2S/c1-12-4-2-3-5-13(12)6-9-17-16-14-8-11-19-15(14)7-10-18-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,18)
InChIKeyDIEDFLSVJJSYMK-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine (CID 112730428) is N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine is Cc1ccccc1CCNc1nccc2sccc12.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is DIEDFLSVJJSYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-4-2-3-5-13(12)6-9-17-16-14-8-11-19-15(14)7-10-18-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 268.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 112730428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).