3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C67H66N8O3S8 — CID 145170892

About 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 145170892) has the molecular formula C67H66N8O3S8 and a molecular weight of 1287.85 g/mol. Its IUPAC name is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 145170892
• Molecular Formula: C67H66N8O3S8
• Molecular Weight: 1287.85 g/mol
• Exact Mass: 1286.30
• IUPAC Name: 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1NC(=O)OC.CCCNSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CN1CCCCC1.Nc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
• InChI: InChI=1S/C23H22N2O2S3.C20H19N3S3.C18H12N2OS2.C6H13N/c1-3-4-12-29-22-20(25-23(26)27-2)19-16(15-9-6-5-7-10-15)14-17(24-21(19)30-22)18-11-8-13-28-18;1-2-10-22-26-20-18(21)17-14(13-7-4-3-5-8-13)12-15(23-19(17)25-20)16-9-6-11-24-16;19-17-15(10-21)23-18-16(17)12(11-5-2-1-3-6-11)9-13(20-18)14-7-4-8-22-14;1-7-5-3-2-4-6-7/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,26);3-9,11-12,22H,2,10,21H2,1H3;1-10H,19H2;2-6H2,1H3
• InChIKey: YROFTHZHCARWDK-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 161.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.85
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 145170892) is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CCCCSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1NC(=O)OC.CCCNSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CN1CCCCC1.Nc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.

What is the InChIKey of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is YROFTHZHCARWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S3.C20H19N3S3.C18H12N2OS2.C6H13N/c1-3-4-12-29-22-20(25-23(26)27-2)19-16(15-9-6-5-7-10-15)14-17(24-21(19)30-22)18-11-8-13-28-18;1-2-10-22-26-20-18(21)17-14(13-7-4-3-5-8-13)12-15(23-19(17)25-20)16-9-6-11-24-16;19-17-15(10-21)23-18-16(17)12(11-5-2-1-3-6-11)9-13(20-18)14-7-4-8-22-14;1-7-5-3-2-4-6-7/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,26);3-9,11-12,22H,2,10,21H2,1H3;1-10H,19H2;2-6H2,1H3.

What are the key properties of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 1287.85 g/mol, XLogP of 20.23, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;methyl N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)carbamate;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 145170892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).