5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

C94H109F2N25O12S7 — CID 158837803

About 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (PubChem CID 158837803) has the molecular formula C94H109F2N25O12S7 and a molecular weight of 2043.53 g/mol. Its IUPAC name is 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• PubChem CID: 158837803
• Molecular Formula: C94H109F2N25O12S7
• Molecular Weight: 2043.53 g/mol
• Exact Mass: 2041.67
• IUPAC Name: 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• SMILES: C=S1(=O)CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1c(CN(C)C)nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c12.Cc1c(CN(C)C)nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c12.Cc1nnc2sc(C(=O)N(C)CCNC(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN(C)C(=O)c3ccccc3)c(N)c2c1C
• InChI: InChI=1S/C21H24N6O2S.C20H23F2N5O3S2.C20H23N5O3S.C19H21N5O2S.C14H18N4O2S2/c1-12-15(11-26(2)3)24-25-20-16(12)17(22)18(30-20)19(28)23-14-9-27(10-14)21(29)13-7-5-4-6-8-13;1-11-14(10-27(3)4)25-26-19-15(11)16(23)17(31-19)18(28)24-9-12-5-7-13(8-6-12)32(29,30)20(2,21)22;1-12-13(2)23-24-18-15(12)16(21)17(29-18)19(26)25(3)10-9-22-20(27)28-11-14-7-5-4-6-8-14;1-11-12(2)22-23-18-14(11)15(20)16(27-18)17(25)21-9-10-24(3)19(26)13-7-5-4-6-8-13;1-8-9(2)16-17-13-10(8)11(15)12(21-13)14(19)18-4-6-22(3,20)7-5-18/h4-8,14H,9-11,22H2,1-3H3,(H,23,28);5-8H,9-10,23H2,1-4H3,(H,24,28);4-8H,9-11,21H2,1-3H3,(H,22,27);4-8H,9-10,20H2,1-3H3,(H,21,25);3-7,15H2,1-2H3
• InChIKey: IXVYHSYDJPTJKF-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 523.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.53
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	9
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-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The IUPAC name of 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (CID 158837803) is 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

What is the SMILES notation for 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The canonical SMILES for 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is C=S1(=O)CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1c(CN(C)C)nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c12.Cc1c(CN(C)C)nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c12.Cc1nnc2sc(C(=O)N(C)CCNC(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN(C)C(=O)c3ccccc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The InChIKey is IXVYHSYDJPTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S.C20H23F2N5O3S2.C20H23N5O3S.C19H21N5O2S.C14H18N4O2S2/c1-12-15(11-26(2)3)24-25-20-16(12)17(22)18(30-20)19(28)23-14-9-27(10-14)21(29)13-7-5-4-6-8-13;1-11-14(10-27(3)4)25-26-19-15(11)16(23)17(31-19)18(28)24-9-12-5-7-13(8-6-12)32(29,30)20(2,21)22;1-12-13(2)23-24-18-15(12)16(21)17(29-18)19(26)25(3)10-9-22-20(27)28-11-14-7-5-4-6-8-14;1-11-12(2)22-23-18-14(11)15(20)16(27-18)17(25)21-9-10-24(3)19(26)13-7-5-4-6-8-13;1-8-9(2)16-17-13-10(8)11(15)12(21-13)14(19)18-4-6-22(3,20)7-5-18/h4-8,14H,9-11,22H2,1-3H3,(H,23,28);5-8H,9-10,23H2,1-4H3,(H,24,28);4-8H,9-11,21H2,1-3H3,(H,22,27);4-8H,9-10,20H2,1-3H3,(H,21,25);3-7,15H2,1-2H3.

What are the key properties of 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate has a molecular weight of 2043.53 g/mol, XLogP of 11.20, 24 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(1-benzoylazetidin-3-yl)-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3-[(dimethylamino)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methanone;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 158837803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).