5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C95H104FN21O13S9 — CID 160502959

About 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 160502959) has the molecular formula C95H104FN21O13S9 and a molecular weight of 2055.61 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 160502959
• Molecular Formula: C95H104FN21O13S9
• Molecular Weight: 2055.61 g/mol
• Exact Mass: 2053.56
• IUPAC Name: 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S(C)(=O)C1(c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)CC1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1C.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3C[C@@H]3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C
• InChI: InChI=1S/C21H24N4O2S2.C19H21N5O3S2.C19H20N4O3S2.C18H19FN4O3S2.C18H20N4O2S/c1-12-13(2)24-25-20-16(12)17(22)18(28-20)19(26)23-11-14-5-7-15(8-6-14)21(9-10-21)29(3,4)27;1-10-5-4-6-14(7-10)29(26,27)24-8-13(9-24)21-18(25)17-16(20)15-11(2)12(3)22-23-19(15)28-17;1-9-10(2)22-23-19-15(9)16(20)17(27-19)18(24)21-14-8-13(14)11-4-6-12(7-5-11)28(3,25)26;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-9-7-12(5-6-13(9)24-4)8-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16/h5-8H,3,9-11,22H2,1-2,4H3,(H,23,26);4-7,13H,8-9,20H2,1-3H3,(H,21,25);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7,11H,8,20H2,1-3H3,(H,21,24);5-7H,8,19H2,1-4H3,(H,20,23)/t;;13-,14+;;/m..1../s1
• InChIKey: QSAJDNDMAXUJKO-DJLSRMFYSA-N
• XLogP: 13.78
• TPSA: 536.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.61
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

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-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 160502959) is 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is C=S(C)(=O)C1(c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)CC1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1C.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3C[C@@H]3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is QSAJDNDMAXUJKO-DJLSRMFYSA-N. The full InChI is InChI=1S/C21H24N4O2S2.C19H21N5O3S2.C19H20N4O3S2.C18H19FN4O3S2.C18H20N4O2S/c1-12-13(2)24-25-20-16(12)17(22)18(28-20)19(26)23-11-14-5-7-15(8-6-14)21(9-10-21)29(3,4)27;1-10-5-4-6-14(7-10)29(26,27)24-8-13(9-24)21-18(25)17-16(20)15-11(2)12(3)22-23-19(15)28-17;1-9-10(2)22-23-19-15(9)16(20)17(27-19)18(24)21-14-8-13(14)11-4-6-12(7-5-11)28(3,25)26;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-9-7-12(5-6-13(9)24-4)8-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16/h5-8H,3,9-11,22H2,1-2,4H3,(H,23,26);4-7,13H,8-9,20H2,1-3H3,(H,21,25);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7,11H,8,20H2,1-3H3,(H,21,24);5-7H,8,19H2,1-4H3,(H,20,23)/t;;13-,14+;;/m..1../s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2055.61 g/mol, XLogP of 13.78, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 160502959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).