2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

C27H30N4O2S — CID 140500098

About 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 140500098) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
• PubChem CID: 140500098
• Molecular Formula: C27H30N4O2S
• Molecular Weight: 474.63 g/mol
• Exact Mass: 474.21
• IUPAC Name: 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
• SMILES: CC(Oc1ccccc1-c1oc2nccc(NCN3CCSC3)c2c1-c1ccccc1)N(C)C
• InChI: InChI=1S/C27H30N4O2S/c1-19(30(2)3)32-23-12-8-7-11-21(23)26-24(20-9-5-4-6-10-20)25-22(13-14-28-27(25)33-26)29-17-31-15-16-34-18-31/h4-14,19H,15-18H2,1-3H3,(H,28,29)
• InChIKey: PIRUSSBZTSVMDF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 53.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.63
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?

The IUPAC name of 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (CID 140500098) is 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.

What is the SMILES notation for 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?

The canonical SMILES for 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is CC(Oc1ccccc1-c1oc2nccc(NCN3CCSC3)c2c1-c1ccccc1)N(C)C.

What is the InChIKey of 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?

The InChIKey is PIRUSSBZTSVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-19(30(2)3)32-23-12-8-7-11-21(23)26-24(20-9-5-4-6-10-20)25-22(13-14-28-27(25)33-26)29-17-31-15-16-34-18-31/h4-14,19H,15-18H2,1-3H3,(H,28,29).

What are the key properties of 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?

2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 474.63 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(1,3-thiazolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 140500098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).