5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

C102H106N26O9S8 — CID 160823673

About 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 160823673) has the molecular formula C102H106N26O9S8 and a molecular weight of 2096.68 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 160823673
• Molecular Formula: C102H106N26O9S8
• Molecular Weight: 2096.68 g/mol
• Exact Mass: 2094.64
• IUPAC Name: 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=C1Cc2cc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)ccc2N1.C=S(C)(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1nnc2sc(C(=O)N3CC(Cc4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnccc12
• InChI: InChI=1S/C19H19N5OS.C19H20N4OS.C17H23N5O2S2.C16H16N4O2S2.C16H14N4O2S.C15H14N4OS/c1-9-6-13-7-12(4-5-14(13)22-9)8-21-18(25)17-16(20)15-10(2)11(3)23-24-19(15)26-17;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-9-14(10-23)8-13-6-4-3-5-7-13;1-9-10(2)19-20-16-13(9)14(18)15(25-16)17(23)21-5-11-7-22(26(3,4)24)8-12(11)6-21;1-24(2,22)11-5-3-10(4-6-11)9-18-15(21)14-13(17)12-7-8-19-20-16(12)23-14;17-13-11-3-5-19-20-16(11)23-14(13)15(21)18-8-9-1-2-12-10(7-9)4-6-22-12;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13/h4-5,7,22H,1,6,8,20H2,2-3H3,(H,21,25);3-7,14H,8-10,20H2,1-2H3;11-12H,3,5-8,18H2,1-2,4H3;3-8H,1,9,17H2,2H3,(H,18,21);1-3,5,7H,4,6,8,17H2,(H,18,21);2-7H,8,16H2,1H3,(H,17,20)
• InChIKey: SFWIWVPRTTVVNJ-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 526.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.68
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 160823673) is 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is C=C1Cc2cc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)ccc2N1.C=S(C)(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1nnc2sc(C(=O)N3CC(Cc4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnccc12.

What is the InChIKey of 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is SFWIWVPRTTVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS.C19H20N4OS.C17H23N5O2S2.C16H16N4O2S2.C16H14N4O2S.C15H14N4OS/c1-9-6-13-7-12(4-5-14(13)22-9)8-21-18(25)17-16(20)15-10(2)11(3)23-24-19(15)26-17;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-9-14(10-23)8-13-6-4-3-5-7-13;1-9-10(2)19-20-16-13(9)14(18)15(25-16)17(23)21-5-11-7-22(26(3,4)24)8-12(11)6-21;1-24(2,22)11-5-3-10(4-6-11)9-18-15(21)14-13(17)12-7-8-19-20-16(12)23-14;17-13-11-3-5-19-20-16(11)23-14(13)15(21)18-8-9-1-2-12-10(7-9)4-6-22-12;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13/h4-5,7,22H,1,6,8,20H2,2-3H3,(H,21,25);3-7,14H,8-10,20H2,1-2H3;11-12H,3,5-8,18H2,1-2,4H3;3-8H,1,9,17H2,2H3,(H,18,21);1-3,5,7H,4,6,8,17H2,(H,18,21);2-7H,8,16H2,1H3,(H,17,20).

What are the key properties of 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2096.68 g/mol, XLogP of 14.22, 18 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methylidene-1,3-dihydroindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-benzylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 160823673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).