5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C96H100ClF3N22O11S8 — CID 162203055

About 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162203055) has the molecular formula C96H100ClF3N22O11S8 and a molecular weight of 2086.98 g/mol. Its IUPAC name is 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 162203055
• Molecular Formula: C96H100ClF3N22O11S8
• Molecular Weight: 2086.98 g/mol
• Exact Mass: 2084.53
• IUPAC Name: 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.CCc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.COc1ncccc1-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(C(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(Cl)c3)c(N)c2c1C
• InChI: InChI=1S/C22H21N5O2S.C20H23N5O3S2.C18H18ClFN4O3S2.C18H19FN4O2S2.C18H19FN4OS/c1-12-13(2)26-27-22-17(12)18(23)19(30-22)20(28)25-11-14-6-8-15(9-7-14)16-5-4-10-24-21(16)29-3;1-4-13-6-5-7-15(8-13)30(27,28)25-9-14(10-25)22-19(26)18-17(21)16-11(2)12(3)23-24-20(16)29-18;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(19)6-11)29(26,27)10(3)20;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-9-11(3)22-23-18-14(9)15(20)16(25-18)17(24)21-8-12-4-6-13(7-5-12)10(2)19/h4-10H,11,23H2,1-3H3,(H,25,28);5-8,14H,4,9-10,21H2,1-3H3,(H,22,26);4-6,10H,7,21H2,1-3H3,(H,22,25);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-7,10H,8,20H2,1-3H3,(H,21,24)
• InChIKey: ZRVJMCJNJKEDCJ-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 515.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.98
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	10
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-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 162203055) is 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.CCc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.COc1ncccc1-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(C(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(Cl)c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is ZRVJMCJNJKEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C20H23N5O3S2.C18H18ClFN4O3S2.C18H19FN4O2S2.C18H19FN4OS/c1-12-13(2)26-27-22-17(12)18(23)19(30-22)20(28)25-11-14-6-8-15(9-7-14)16-5-4-10-24-21(16)29-3;1-4-13-6-5-7-15(8-13)30(27,28)25-9-14(10-25)22-19(26)18-17(21)16-11(2)12(3)23-24-20(16)29-18;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(19)6-11)29(26,27)10(3)20;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-9-11(3)22-23-18-14(9)15(20)16(25-18)17(24)21-8-12-4-6-13(7-5-12)10(2)19/h4-10H,11,23H2,1-3H3,(H,25,28);5-8,14H,4,9-10,21H2,1-3H3,(H,22,26);4-6,10H,7,21H2,1-3H3,(H,22,25);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-7,10H,8,20H2,1-3H3,(H,21,24).

What are the key properties of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2086.98 g/mol, XLogP of 16.22, 23 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-ethylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162203055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).