(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C67H66N8O3S8 — CID 178088537

IUPAC(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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.COC.Nc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H21N3OS2.C22H20N2OS3.C20H19N3S3.C2H6O/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26;1-2-3-11-27-22-20(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;1-3-2/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2;4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-2H3
InChIKeyXXHAVZUVZLXGRN-UHFFFAOYSA-N
MW1287.85 g/mol
LogP19.60
Rot. Bonds17

About (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 178088537) 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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID178088537
Molecular FormulaC67H66N8O3S8
Molecular Weight1287.85 g/mol
Exact Mass1286.30
IUPAC Name(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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.COC.Nc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H21N3OS2.C22H20N2OS3.C20H19N3S3.C2H6O/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26;1-2-3-11-27-22-20(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;1-3-2/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2;4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-2H3
InChIKeyXXHAVZUVZLXGRN-UHFFFAOYSA-N
XLogP19.60
TPSA161.38 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.85
LogP ≤ 519.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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'}

Analyze (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 178088537) is (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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.COC.Nc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is XXHAVZUVZLXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2.C22H20N2OS3.C20H19N3S3.C2H6O/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26;1-2-3-11-27-22-20(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;1-3-2/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2;4-10,12-14H,2-3,11H2,1H3,(H,23,25);3-9,11-12,22H,2,10,21H2,1H3;1-2H3.
What are the key properties of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;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 19.60, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone;N-(2-butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-yl)formamide;methoxymethane;4-phenyl-2-(propylaminosulfanyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 178088537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).