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

C20H16N2S — CID 156784571

IUPAC2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
SMILESCc1cccc(-c2cc3nccc(Nc4ccccc4)c3s2)c1
InChIInChI=1S/C20H16N2S/c1-14-6-5-7-15(12-14)19-13-18-20(23-19)17(10-11-21-18)22-16-8-3-2-4-9-16/h2-13H,1H3,(H,21,22)
InChIKeyKPIYYPOZXWGCMQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP6.02
Rot. Bonds3

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

2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine (PubChem CID 156784571) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
PubChem CID156784571
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
SMILESCc1cccc(-c2cc3nccc(Nc4ccccc4)c3s2)c1
InChIInChI=1S/C20H16N2S/c1-14-6-5-7-15(12-14)19-13-18-20(23-19)17(10-11-21-18)22-16-8-3-2-4-9-16/h2-13H,1H3,(H,21,22)
InChIKeyKPIYYPOZXWGCMQ-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 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine (CID 156784571) is 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine is Cc1cccc(-c2cc3nccc(Nc4ccccc4)c3s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
The InChIKey is KPIYYPOZXWGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-14-6-5-7-15(12-14)19-13-18-20(23-19)17(10-11-21-18)22-16-8-3-2-4-9-16/h2-13H,1H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine?
2-(3-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 2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 156784571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).