2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one

C85H71N19O7S5 — CID 159534711

About 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one (PubChem CID 159534711) has the molecular formula C85H71N19O7S5 and a molecular weight of 1630.96 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one
• PubChem CID: 159534711
• Molecular Formula: C85H71N19O7S5
• Molecular Weight: 1630.96 g/mol
• Exact Mass: 1629.44
• IUPAC Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one
• SMILES: CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12.N#Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1
• InChI: InChI=1S/C22H17N5OS.C22H26N4O4S2.C21H15N5OS.C20H13N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-30-12-6-2-3-8-18(27)16-15-31-22-19(16)21(26-10-13-32(28,29)14-11-26)24-20(25-22)17-7-4-5-9-23-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;21-12-14-6-4-13(5-7-14)11-17(26)23-18-15-8-10-27-20(15)25-19(24-18)16-3-1-2-9-22-16/h3-12H,1-2H3,(H,25,26,27,28);4-5,7,9,15H,2-3,6,8,10-14H2,1H3;2-11,13H,1H3,(H,24,25,26,27);1-10H,11H2,(H,23,24,25,26)
• InChIKey: MDLFFCRPUVQHLB-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 377.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1630.96
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one?

The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one (CID 159534711) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one.

What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one?

The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12.N#Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1.

What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one?

The InChIKey is MDLFFCRPUVQHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C22H26N4O4S2.C21H15N5OS.C20H13N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-30-12-6-2-3-8-18(27)16-15-31-22-19(16)21(26-10-13-32(28,29)14-11-26)24-20(25-22)17-7-4-5-9-23-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;21-12-14-6-4-13(5-7-14)11-17(26)23-18-15-8-10-27-20(15)25-19(24-18)16-3-1-2-9-22-16/h3-12H,1-2H3,(H,25,26,27,28);4-5,7,9,15H,2-3,6,8,10-14H2,1H3;2-11,13H,1H3,(H,24,25,26,27);1-10H,11H2,(H,23,24,25,26).

What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one?

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one has a molecular weight of 1630.96 g/mol, XLogP of 16.09, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]-6-methoxyhexan-1-one is sourced from PubChem (CID 159534711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).