5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone

C96H100FN23O14S8 — CID 158621722

About 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone

5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone (PubChem CID 158621722) has the molecular formula C96H100FN23O14S8 and a molecular weight of 2075.54 g/mol. Its IUPAC name is 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone.

Molecular Properties

• Compound Name: 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone
• PubChem CID: 158621722
• Molecular Formula: C96H100FN23O14S8
• Molecular Weight: 2075.54 g/mol
• Exact Mass: 2073.56
• IUPAC Name: 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone
• SMILES: COc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(OC)c1.COc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C
• InChI: InChI=1S/C21H23N5O4S.C19H19FN4O3S2.C19H19N5O2S.C19H20N4O2S2.C18H19N5O3S2/c1-10-11(2)24-25-20-16(10)17(22)18(31-20)19(27)23-12-8-26(9-12)21(28)14-6-5-13(29-3)7-15(14)30-4;1-9-6-12(4-5-14(9)20)29(26,27)13-7-24(8-13)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)22-23-18-14(10)15(20)16(27-18)17(25)21-13-8-24(9-13)19(26)12-6-4-3-5-7-12;1-10-11(2)21-22-18-15(10)16(20)17(27-18)19(24)23-8-14(9-23)26-13-6-4-12(25-3)5-7-13;1-10-11(2)21-22-18-14(10)15(19)16(27-18)17(24)20-12-8-23(9-12)28(25,26)13-6-4-3-5-7-13/h5-7,12H,8-9,22H2,1-4H3,(H,23,27);4-6,13H,7-8,21H2,1-3H3;3-7,13H,8-9,20H2,1-2H3,(H,21,25);4-7,14H,8-9,20H2,1-3H3;3-7,12H,8-9,19H2,1-2H3,(H,20,24)
• InChIKey: HYBVDDMJDKTMPA-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 526.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.54
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone?

The IUPAC name of 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone (CID 158621722) is 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone.

What is the SMILES notation for 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone?

The canonical SMILES for 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone is COc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(OC)c1.COc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone?

The InChIKey is HYBVDDMJDKTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S.C19H19FN4O3S2.C19H19N5O2S.C19H20N4O2S2.C18H19N5O3S2/c1-10-11(2)24-25-20-16(10)17(22)18(31-20)19(27)23-12-8-26(9-12)21(28)14-6-5-13(29-3)7-15(14)30-4;1-9-6-12(4-5-14(9)20)29(26,27)13-7-24(8-13)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)22-23-18-14(10)15(20)16(27-18)17(25)21-13-8-24(9-13)19(26)12-6-4-3-5-7-12;1-10-11(2)21-22-18-15(10)16(20)17(27-18)19(24)23-8-14(9-23)26-13-6-4-12(25-3)5-7-13;1-10-11(2)21-22-18-14(10)15(19)16(27-18)17(24)20-12-8-23(9-12)28(25,26)13-6-4-3-5-7-13/h5-7,12H,8-9,22H2,1-4H3,(H,23,27);4-6,13H,7-8,21H2,1-3H3;3-7,13H,8-9,20H2,1-2H3,(H,21,25);4-7,14H,8-9,20H2,1-3H3;3-7,12H,8-9,19H2,1-2H3,(H,20,24).

What are the key properties of 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone?

5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone has a molecular weight of 2075.54 g/mol, XLogP of 12.15, 19 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-(benzenesulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1-benzoylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-fluoro-3-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-methoxyphenyl)sulfanylazetidin-1-yl]methanone is sourced from PubChem (CID 158621722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).