5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate

C127H139ClFN37O15S8 — CID 159739758

About 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate

5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate (PubChem CID 159739758) has the molecular formula C127H139ClFN37O15S8 and a molecular weight of 2734.74 g/mol. Its IUPAC name is 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate
• PubChem CID: 159739758
• Molecular Formula: C127H139ClFN37O15S8
• Molecular Weight: 2734.74 g/mol
• Exact Mass: 2731.87
• IUPAC Name: 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate
• SMILES: CCCOC(=O)NC(CCl)CNC(=O)c1sc2nnc(C)c(C)c2c1N.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(NC(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)N(C)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)F)nc3)c(N)c2c1C
• InChI: InChI=1S/C20H22N6O2S.C20H21N5O3S.C19H18N6OS2.C19H19N5O3S.C17H18FN5OS.C16H22ClN5O3S.C16H19N5O2S/c1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(27)22-13-9-26(10-13)20(28)25(3)14-7-5-4-6-8-14;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-9-10(2)23-24-18-14(9)15(20)16(28-18)17(26)21-11-7-25(8-11)19-22-12-5-3-4-6-13(12)27-19;1-10-11(2)22-23-17-14(10)15(20)16(28-17)18(25)24-8-12(9-24)21-19(26)27-13-6-4-3-5-7-13;1-8-10(3)22-23-17-13(8)14(19)15(25-17)16(24)21-7-11-4-5-12(9(2)18)20-6-11;1-4-5-25-16(24)20-10(6-17)7-19-14(23)13-12(18)11-8(2)9(3)21-22-15(11)26-13;1-7-8(2)19-20-15-11(7)12(17)13(24-15)16(23)21-5-10(6-21)18-14(22)9-3-4-9/h4-8,13H,9-10,21H2,1-3H3,(H,22,27);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-6,11H,7-8,20H2,1-2H3,(H,21,26);3-7,12H,8-9,20H2,1-2H3,(H,21,26);4-6,9H,7,19H2,1-3H3,(H,21,24);10H,4-7,18H2,1-3H3,(H,19,23)(H,20,24);9-10H,3-6,17H2,1-2H3,(H,18,22)
• InChIKey: NCHMKTLMOKIUBE-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 736.59 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 47
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.74
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate?

The IUPAC name of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate (CID 159739758) is 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate.

What is the SMILES notation for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate?

The canonical SMILES for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate is CCCOC(=O)NC(CCl)CNC(=O)c1sc2nnc(C)c(C)c2c1N.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(NC(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)N(C)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)F)nc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate?

The InChIKey is NCHMKTLMOKIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S.C20H21N5O3S.C19H18N6OS2.C19H19N5O3S.C17H18FN5OS.C16H22ClN5O3S.C16H19N5O2S/c1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(27)22-13-9-26(10-13)20(28)25(3)14-7-5-4-6-8-14;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-9-10(2)23-24-18-14(9)15(20)16(28-18)17(26)21-11-7-25(8-11)19-22-12-5-3-4-6-13(12)27-19;1-10-11(2)22-23-17-14(10)15(20)16(28-17)18(25)24-8-12(9-24)21-19(26)27-13-6-4-3-5-7-13;1-8-10(3)22-23-17-13(8)14(19)15(25-17)16(24)21-7-11-4-5-12(9(2)18)20-6-11;1-4-5-25-16(24)20-10(6-17)7-19-14(23)13-12(18)11-8(2)9(3)21-22-15(11)26-13;1-7-8(2)19-20-15-11(7)12(17)13(24-15)16(23)21-5-10(6-21)18-14(22)9-3-4-9/h4-8,13H,9-10,21H2,1-3H3,(H,22,27);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-6,11H,7-8,20H2,1-2H3,(H,21,26);3-7,12H,8-9,20H2,1-2H3,(H,21,26);4-6,9H,7,19H2,1-3H3,(H,21,24);10H,4-7,18H2,1-3H3,(H,19,23)(H,20,24);9-10H,3-6,17H2,1-2H3,(H,18,22).

What are the key properties of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate?

5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate has a molecular weight of 2734.74 g/mol, XLogP of 17.84, 26 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[6-(1-fluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate;propyl N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-chloropropan-2-yl]carbamate is sourced from PubChem (CID 159739758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).