N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C26H36N8OS — CID 155537273

About N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 155537273) has the molecular formula C26H36N8OS and a molecular weight of 508.70 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 155537273
• Molecular Formula: C26H36N8OS
• Molecular Weight: 508.70 g/mol
• Exact Mass: 508.27
• IUPAC Name: N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1
• InChI: InChI=1S/C26H36N8OS/c1-17-8-9-23(27-14-17)28-16-22-20(15-29-33(22)3)25-31-32-26(36-25)34-12-10-19(11-13-34)24(35)30-21-7-5-4-6-18(21)2/h8-9,14-15,18-19,21H,4-7,10-13,16H2,1-3H3,(H,27,28)(H,30,35)
• InChIKey: FJGFWLNGWOUFRZ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.70
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 155537273) is N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1.

What is the InChIKey of N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is FJGFWLNGWOUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8OS/c1-17-8-9-23(27-14-17)28-16-22-20(15-29-33(22)3)25-31-32-26(36-25)34-12-10-19(11-13-34)24(35)30-21-7-5-4-6-18(21)2/h8-9,14-15,18-19,21H,4-7,10-13,16H2,1-3H3,(H,27,28)(H,30,35).

What are the key properties of N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 508.70 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155537273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).