5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

C105H132N28O12S9 — CID 162102267

About 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (PubChem CID 162102267) has the molecular formula C105H132N28O12S9 and a molecular weight of 2267.00 g/mol. Its IUPAC name is 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• PubChem CID: 162102267
• Molecular Formula: C105H132N28O12S9
• Molecular Weight: 2267.00 g/mol
• Exact Mass: 2264.81
• IUPAC Name: 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• SMILES: C.C=S1CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1nnc2sc(C(=O)N(C)CCNC(=O)C3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNS(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCSCC3)c(N)c2c1C
• InChI: InChI=1S/C21H25N5O2S.C19H21N5O3S.C19H27N5O2S.C18H21N5O3S2.C14H18N4OS2.C13H16N4OS2.CH4/c1-12-7-6-8-15(11-12)20(27)25(4)9-10-26(5)21(28)18-17(22)16-13(2)14(3)23-24-19(16)29-18;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(25)24(3)10-9-21-19(26)27-13-7-5-4-6-8-13;1-11-12(2)22-23-18-14(11)15(20)16(27-18)19(26)24(3)10-9-21-17(25)13-7-5-4-6-8-13;1-11-12(2)21-22-17-14(11)15(19)16(27-17)18(24)23(3)10-9-20-28(25,26)13-7-5-4-6-8-13;1-8-9(2)16-17-13-10(8)11(15)12(20-13)14(19)18-4-6-21(3)7-5-18;1-7-8(2)15-16-12-9(7)10(14)11(20-12)13(18)17-3-5-19-6-4-17;/h6-8,11H,9-10,22H2,1-5H3;4-8H,9-10,20H2,1-3H3,(H,21,26);13H,4-10,20H2,1-3H3,(H,21,25);4-8,20H,9-10,19H2,1-3H3;3-7,15H2,1-2H3;3-6,14H2,1-2H3;1H4
• InChIKey: ZFAWQJMQPXAXSK-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 566.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2267.00
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The IUPAC name of 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (CID 162102267) is 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

What is the SMILES notation for 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The canonical SMILES for 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is C.C=S1CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1nnc2sc(C(=O)N(C)CCNC(=O)C3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNS(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCSCC3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

The InChIKey is ZFAWQJMQPXAXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.C19H21N5O3S.C19H27N5O2S.C18H21N5O3S2.C14H18N4OS2.C13H16N4OS2.CH4/c1-12-7-6-8-15(11-12)20(27)25(4)9-10-26(5)21(28)18-17(22)16-13(2)14(3)23-24-19(16)29-18;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(25)24(3)10-9-21-19(26)27-13-7-5-4-6-8-13;1-11-12(2)22-23-18-14(11)15(20)16(27-18)19(26)24(3)10-9-21-17(25)13-7-5-4-6-8-13;1-11-12(2)21-22-17-14(11)15(19)16(27-17)18(24)23(3)10-9-20-28(25,26)13-7-5-4-6-8-13;1-8-9(2)16-17-13-10(8)11(15)12(20-13)14(19)18-4-6-21(3)7-5-18;1-7-8(2)15-16-12-9(7)10(14)11(20-12)13(18)17-3-5-19-6-4-17;/h6-8,11H,9-10,22H2,1-5H3;4-8H,9-10,20H2,1-3H3,(H,21,26);13H,4-10,20H2,1-3H3,(H,21,25);4-8,20H,9-10,19H2,1-3H3;3-7,15H2,1-2H3;3-6,14H2,1-2H3;1H4.

What are the key properties of 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate?

5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate has a molecular weight of 2267.00 g/mol, XLogP of 15.16, 23 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-(benzenesulfonamido)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(cyclohexanecarbonylamino)ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1-methylidene-1,4-thiazinan-4-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-thiomorpholin-4-ylmethanone;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;methane;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 162102267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).