5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C23H29N5O3S — CID 46330926

About 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330926) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46330926
• Molecular Formula: C23H29N5O3S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.20
• IUPAC Name: 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NC1CCCCC1
• InChI: InChI=1S/C23H29N5O3S/c29-19(24-17-7-3-1-4-8-17)15-16-11-13-28(14-12-16)23(31)22-27-26-21(32-22)20(30)25-18-9-5-2-6-10-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H,24,29)(H,25,30)
• InChIKey: JACYLBYWCASSBX-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46330926) is 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NC1CCCCC1.

What is the InChIKey of 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is JACYLBYWCASSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c29-19(24-17-7-3-1-4-8-17)15-16-11-13-28(14-12-16)23(31)22-27-26-21(32-22)20(30)25-18-9-5-2-6-10-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H,24,29)(H,25,30).

What are the key properties of 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).