(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C73H82N22O4S5 — CID 157308128

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 157308128) has the molecular formula C73H82N22O4S5 and a molecular weight of 1491.94 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
• PubChem CID: 157308128
• Molecular Formula: C73H82N22O4S5
• Molecular Weight: 1491.94 g/mol
• Exact Mass: 1490.55
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
• SMILES: Cc1nnc2sc(C(=O)N3CCC(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(c4ccccc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4nccs4)CC3)c(N)c2c1C
• InChI: InChI=1S/C20H23N5OS.C19H21N5OS.C18H20N6OS.C16H18N6OS2/c1-13-14(2)22-23-19-16(13)17(21)18(27-19)20(26)25-10-6-9-24(11-12-25)15-7-4-3-5-8-15;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-5-14(6-10-24)13-3-7-21-8-4-13;1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-3-5-20-6-4-13;1-9-10(2)19-20-14-11(9)12(17)13(25-14)15(23)21-4-6-22(7-5-21)16-18-3-8-24-16/h3-5,7-8H,6,9-12,21H2,1-2H3;3-4,7-8,14H,5-6,9-10,20H2,1-2H3;3-6H,7-10,19H2,1-2H3;3,8H,4-7,17H2,1-2H3
• InChIKey: BCSQPSGSZDIZPN-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 336.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.94
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 157308128) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1nnc2sc(C(=O)N3CCC(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(c4ccccc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4nccs4)CC3)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?

The InChIKey is BCSQPSGSZDIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.C19H21N5OS.C18H20N6OS.C16H18N6OS2/c1-13-14(2)22-23-19-16(13)17(21)18(27-19)20(26)25-10-6-9-24(11-12-25)15-7-4-3-5-8-15;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-5-14(6-10-24)13-3-7-21-8-4-13;1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-3-5-20-6-4-13;1-9-10(2)19-20-14-11(9)12(17)13(25-14)15(23)21-4-6-22(7-5-21)16-18-3-8-24-16/h3-5,7-8H,6,9-12,21H2,1-2H3;3-4,7-8,14H,5-6,9-10,20H2,1-2H3;3-6H,7-10,19H2,1-2H3;3,8H,4-7,17H2,1-2H3.

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 1491.94 g/mol, XLogP of 11.10, 8 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 157308128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).