4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H18N6OS — CID 162675723

About 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162675723) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
• PubChem CID: 162675723
• Molecular Formula: C16H18N6OS
• Molecular Weight: 342.43 g/mol
• Exact Mass: 342.13
• IUPAC Name: 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
• SMILES: Cc1cnc(NC(=O)N2CCN(c3cnc(C#N)c(C)c3)CC2)s1
• InChI: InChI=1S/C16H18N6OS/c1-11-7-13(10-18-14(11)8-17)21-3-5-22(6-4-21)16(23)20-15-19-9-12(2)24-15/h7,9-10H,3-6H2,1-2H3,(H,19,20,23)
• InChIKey: LCXUALBYEKUIPA-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 85.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?

The IUPAC name of 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162675723) is 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

What is the SMILES notation for 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?

The canonical SMILES for 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3cnc(C#N)c(C)c3)CC2)s1.

What is the InChIKey of 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?

The InChIKey is LCXUALBYEKUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-7-13(10-18-14(11)8-17)21-3-5-22(6-4-21)16(23)20-15-19-9-12(2)24-15/h7,9-10H,3-6H2,1-2H3,(H,19,20,23).

What are the key properties of 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?

4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162675723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).