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

C68H70N8O4S8 — CID 170737958

IUPAC3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1NC=O.CCCNSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CN1CCCCC1.COOC.Nc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H20N2OS3.C20H19N3S3.C18H12N2OS2.C6H13N.C2H6O2/c1-2-3-11-27-22-20(23-14-25)19-16(15-8-5-4-6-9-15)13-17(24-21(19)28-22)18-10-7-12-26-18;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;1-3-4-2/h4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-10H,19H2;2-6H2,1H3;1-2H3
InChIKeyVGZAMEHRLLLHQZ-UHFFFAOYSA-N
MW1319.90 g/mol
LogP19.82
Rot. Bonds18

About 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 170737958) has the molecular formula C68H70N8O4S8 and a molecular weight of 1319.90 g/mol. Its IUPAC name is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID170737958
Molecular FormulaC68H70N8O4S8
Molecular Weight1319.90 g/mol
Exact Mass1318.33
IUPAC Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1NC=O.CCCNSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CN1CCCCC1.COOC.Nc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H20N2OS3.C20H19N3S3.C18H12N2OS2.C6H13N.C2H6O2/c1-2-3-11-27-22-20(23-14-25)19-16(15-8-5-4-6-9-15)13-17(24-21(19)28-22)18-10-7-12-26-18;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;1-3-4-2/h4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-10H,19H2;2-6H2,1H3;1-2H3
InChIKeyVGZAMEHRLLLHQZ-UHFFFAOYSA-N
XLogP19.82
TPSA170.61 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.90
LogP ≤ 519.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 170737958) is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CCCCSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1NC=O.CCCNSc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CN1CCCCC1.COOC.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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is VGZAMEHRLLLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS3.C20H19N3S3.C18H12N2OS2.C6H13N.C2H6O2/c1-2-3-11-27-22-20(23-14-25)19-16(15-8-5-4-6-9-15)13-17(24-21(19)28-22)18-10-7-12-26-18;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;1-3-4-2/h4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-10H,19H2;2-6H2,1H3;1-2H3.
What are the key properties of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 1319.90 g/mol, XLogP of 19.82, 18 rotatable bonds, 4 hydrogen bond donors, and 19 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;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methylperoxymethane;1-methylpiperidine;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 170737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).