5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane

C77H73FN20O7S6 — CID 158725466

IUPAC5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane
SMILESC.C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnccc12.Nc1c(C(=O)NCc2ccccc2)sc2nnccc12
InChIInChI=1S/C16H16N4O2S2.C16H14N4O2S.C15H13FN4OS.C15H14N4OS.C14H12N4OS.CH4/c1-24(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;1-8-3-2-4-9(11(8)16)7-18-14(21)13-12(17)10-5-6-19-20-15(10)22-13;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13;15-11-10-6-7-17-18-14(10)20-12(11)13(19)16-8-9-4-2-1-3-5-9;/h3-8H,1,9,17H2,2H3,(H,18,21);1-3,5,7H,4,6,8,17H2,(H,18,21);2-6H,7,17H2,1H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20);1-7H,8,15H2,(H,16,19);1H4
InChIKeyIKLFOSSXVMKGLK-UHFFFAOYSA-N
MW1601.96 g/mol
LogP12.05
Rot. Bonds16

About 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane

5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane (PubChem CID 158725466) has the molecular formula C77H73FN20O7S6 and a molecular weight of 1601.96 g/mol. Its IUPAC name is 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane.

Molecular Properties

Compound Name5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane
PubChem CID158725466
Molecular FormulaC77H73FN20O7S6
Molecular Weight1601.96 g/mol
Exact Mass1600.43
IUPAC Name5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane
SMILESC.C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnccc12.Nc1c(C(=O)NCc2ccccc2)sc2nnccc12
InChIInChI=1S/C16H16N4O2S2.C16H14N4O2S.C15H13FN4OS.C15H14N4OS.C14H12N4OS.CH4/c1-24(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;1-8-3-2-4-9(11(8)16)7-18-14(21)13-12(17)10-5-6-19-20-15(10)22-13;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13;15-11-10-6-7-17-18-14(10)20-12(11)13(19)16-8-9-4-2-1-3-5-9;/h3-8H,1,9,17H2,2H3,(H,18,21);1-3,5,7H,4,6,8,17H2,(H,18,21);2-6H,7,17H2,1H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20);1-7H,8,15H2,(H,16,19);1H4
InChIKeyIKLFOSSXVMKGLK-UHFFFAOYSA-N
XLogP12.05
TPSA430.80 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms111
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.96
LogP ≤ 512.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane?
The IUPAC name of 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane (CID 158725466) is 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane.
What is the SMILES notation for 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane?
The canonical SMILES for 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane is C.C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnccc3c2N)c1F.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnccc12.Nc1c(C(=O)NCc2ccccc2)sc2nnccc12.
What is the InChIKey of 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane?
The InChIKey is IKLFOSSXVMKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2.C16H14N4O2S.C15H13FN4OS.C15H14N4OS.C14H12N4OS.CH4/c1-24(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;1-8-3-2-4-9(11(8)16)7-18-14(21)13-12(17)10-5-6-19-20-15(10)22-13;1-9-3-2-4-10(7-9)8-17-14(20)13-12(16)11-5-6-18-19-15(11)21-13;15-11-10-6-7-17-18-14(10)20-12(11)13(19)16-8-9-4-2-1-3-5-9;/h3-8H,1,9,17H2,2H3,(H,18,21);1-3,5,7H,4,6,8,17H2,(H,18,21);2-6H,7,17H2,1H3,(H,18,21);2-7H,8,16H2,1H3,(H,17,20);1-7H,8,15H2,(H,16,19);1H4.
What are the key properties of 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane?
5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane has a molecular weight of 1601.96 g/mol, XLogP of 12.05, 16 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzylthieno[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-N-[(2-fluoro-3-methylphenyl)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-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;methane is sourced from PubChem (CID 158725466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).