5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

C93H92FN27O7S7 — CID 159139466

About 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159139466) has the molecular formula C93H92FN27O7S7 and a molecular weight of 1943.41 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159139466
• Molecular Formula: C93H92FN27O7S7
• Molecular Weight: 1943.41 g/mol
• Exact Mass: 1941.57
• IUPAC Name: 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C
• InChI: InChI=1S/C18H20N4O2S2.C15H13FN4OS.3C15H15N5OS.C15H14N4OS/c1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(23)20-9-12-5-7-13(8-6-12)26(3,4)24;1-8-3-2-4-9(11(8)16)7-18-14(21)13-12(17)10-5-6-19-20-15(10)22-13;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10;2*1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13/h5-8H,3,9,19H2,1-2,4H3,(H,20,23);2-6H,7,17H2,1H3,(H,18,21);3*3-6H,7,16H2,1-2H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20)
• InChIKey: KHXKOLPXXPEABN-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 541.14 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.41
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	12
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-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 159139466) is 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is KHXKOLPXXPEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2.C15H13FN4OS.3C15H15N5OS.C15H14N4OS/c1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(23)20-9-12-5-7-13(8-6-12)26(3,4)24;1-8-3-2-4-9(11(8)16)7-18-14(21)13-12(17)10-5-6-19-20-15(10)22-13;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10;2*1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13/h5-8H,3,9,19H2,1-2,4H3,(H,20,23);2-6H,7,17H2,1H3,(H,18,21);3*3-6H,7,16H2,1-2H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20).

What are the key properties of 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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 1943.41 g/mol, XLogP of 14.33, 19 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)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 159139466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).