5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine

C20H16N2S — CID 15418458

IUPAC5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
SMILESCc1ccc(-c2cc(Nc3ccccc3)c3sccc3n2)cc1
InChIInChI=1S/C20H16N2S/c1-14-7-9-15(10-8-14)18-13-19(20-17(22-18)11-12-23-20)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyKLPLHNAIDDFCRL-UHFFFAOYSA-N
MW316.43 g/mol
LogP6.02
Rot. Bonds3

About 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine

5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine (PubChem CID 15418458) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
PubChem CID15418458
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
SMILESCc1ccc(-c2cc(Nc3ccccc3)c3sccc3n2)cc1
InChIInChI=1S/C20H16N2S/c1-14-7-9-15(10-8-14)18-13-19(20-17(22-18)11-12-23-20)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyKLPLHNAIDDFCRL-UHFFFAOYSA-N
XLogP6.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine (CID 15418458) is 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine is Cc1ccc(-c2cc(Nc3ccccc3)c3sccc3n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The InChIKey is KLPLHNAIDDFCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-14-7-9-15(10-8-14)18-13-19(20-17(22-18)11-12-23-20)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine has a molecular weight of 316.43 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 15418458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).