6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C19H18N8OS2 — CID 133487127

About 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133487127) has the molecular formula C19H18N8OS2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133487127
• Molecular Formula: C19H18N8OS2
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.10
• IUPAC Name: 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: Cc1cc2c(N3CCN(c4ccc(C(=O)Nc5nncs5)cn4)CC3)ncnc2s1
• InChI: InChI=1S/C19H18N8OS2/c1-12-8-14-16(21-10-22-18(14)30-12)27-6-4-26(5-7-27)15-3-2-13(9-20-15)17(28)24-19-25-23-11-29-19/h2-3,8-11H,4-7H2,1H3,(H,24,25,28)
• InChIKey: HNXJCTKKDQHTPO-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133487127) is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1cc2c(N3CCN(c4ccc(C(=O)Nc5nncs5)cn4)CC3)ncnc2s1.

What is the InChIKey of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is HNXJCTKKDQHTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS2/c1-12-8-14-16(21-10-22-18(14)30-12)27-6-4-26(5-7-27)15-3-2-13(9-20-15)17(28)24-19-25-23-11-29-19/h2-3,8-11H,4-7H2,1H3,(H,24,25,28).

What are the key properties of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133487127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).