N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C86H80N12O4S8 — CID 158537305

About N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 158537305) has the molecular formula C86H80N12O4S8 and a molecular weight of 1602.20 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• PubChem CID: 158537305
• Molecular Formula: C86H80N12O4S8
• Molecular Weight: 1602.20 g/mol
• Exact Mass: 1600.42
• IUPAC Name: N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
• SMILES: CNC(=O)c1nnc(CC2=CSC=CC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(CC2=CSCC=C2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4=CSC=CC4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CSCC=C4)nnc(C(=O)N(C)C)c3s2)cc1
• InChI: InChI=1S/2C22H21N3OS2.2C21H19N3OS2/c2*1-14-6-8-16(9-7-14)19-12-17-18(11-15-5-4-10-27-13-15)23-24-20(21(17)28-19)22(26)25(2)3;2*1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-26-12-14)23-24-19(20(16)27-18)21(25)22-2/h4,6-10,12-13H,5,11H2,1-3H3;4-9,12-13H,10-11H2,1-3H3;3,5-9,11-12H,4,10H2,1-2H3,(H,22,25);3-8,11-12H,9-10H2,1-2H3,(H,22,25)
• InChIKey: HOCDMCREZIGHOF-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 201.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1602.20
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 158537305) is N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2=CSC=CC2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(CC2=CSCC=C2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4=CSC=CC4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CSCC=C4)nnc(C(=O)N(C)C)c3s2)cc1.

What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

The InChIKey is HOCDMCREZIGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N3OS2.2C21H19N3OS2/c2*1-14-6-8-16(9-7-14)19-12-17-18(11-15-5-4-10-27-13-15)23-24-20(21(17)28-19)22(26)25(2)3;2*1-13-5-7-15(8-6-13)18-11-16-17(10-14-4-3-9-26-12-14)23-24-19(20(16)27-18)21(25)22-2/h4,6-10,12-13H,5,11H2,1-3H3;4-9,12-13H,10-11H2,1-3H3;3,5-9,11-12H,4,10H2,1-2H3,(H,22,25);3-8,11-12H,9-10H2,1-2H3,(H,22,25).

What are the key properties of N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?

N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 1602.20 g/mol, XLogP of 20.40, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 158537305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).