5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

C96H93F3N24O8S7 — CID 162188762

About 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162188762) has the molecular formula C96H93F3N24O8S7 and a molecular weight of 1992.42 g/mol. Its IUPAC name is 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 162188762
• Molecular Formula: C96H93F3N24O8S7
• Molecular Weight: 1992.42 g/mol
• Exact Mass: 1990.56
• IUPAC Name: 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.COc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C
• InChI: InChI=1S/2C17H17FN4OS.C16H16N4O2S2.C16H16N4OS.C15H13FN4OS.C15H14N4O2S/c1-8-4-5-12(18)11(6-8)7-20-16(23)15-14(19)13-9(2)10(3)21-22-17(13)24-15;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;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;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;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;1-21-10-4-2-9(3-5-10)8-17-14(20)13-12(16)11-6-7-18-19-15(11)22-13/h2*4-6H,7,19H2,1-3H3,(H,20,23);3-8H,1,9,17H2,2H3,(H,18,21);3-7H,8,17H2,1-2H3,(H,18,21);2-6H,7,17H2,1H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20)
• InChIKey: ZQAAHTIPOFOQNF-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 511.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1992.42
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 162188762) is 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.COc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.

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

The InChIKey is ZQAAHTIPOFOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17FN4OS.C16H16N4O2S2.C16H16N4OS.C15H13FN4OS.C15H14N4O2S/c1-8-4-5-12(18)11(6-8)7-20-16(23)15-14(19)13-9(2)10(3)21-22-17(13)24-15;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;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;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;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;1-21-10-4-2-9(3-5-10)8-17-14(20)13-12(16)11-6-7-18-19-15(11)22-13/h2*4-6H,7,19H2,1-3H3,(H,20,23);3-8H,1,9,17H2,2H3,(H,18,21);3-7H,8,17H2,1-2H3,(H,18,21);2-6H,7,17H2,1H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20).

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

5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1992.42 g/mol, XLogP of 16.13, 20 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162188762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).