(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal

C22H16N2O2S — CID 18450607

About (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal

(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal (PubChem CID 18450607) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal.

Molecular Properties

• Compound Name: (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
• PubChem CID: 18450607
• Molecular Formula: C22H16N2O2S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.09
• IUPAC Name: (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
• SMILES: Nc1ncc(/C=C/C=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
• InChI: InChI=1S/C22H16N2O2S/c23-22-20-19(14-27-21(20)16(13-24-22)5-4-12-25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-14H,(H2,23,24)/b5-4+
• InChIKey: INIDHBSIYOGQSG-SNAWJCMRSA-N
• XLogP: 5.55
• TPSA: 65.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?

The IUPAC name of (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal (CID 18450607) is (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal.

What is the SMILES notation for (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?

The canonical SMILES for (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal is Nc1ncc(/C=C/C=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.

What is the InChIKey of (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?

The InChIKey is INIDHBSIYOGQSG-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H16N2O2S/c23-22-20-19(14-27-21(20)16(13-24-22)5-4-12-25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-14H,(H2,23,24)/b5-4+.

What are the key properties of (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?

(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal has a molecular weight of 372.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal is sourced from PubChem (CID 18450607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).