N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C24H24ClN5O3S — CID 92890586

About N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92890586) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92890586
• Molecular Formula: C24H24ClN5O3S
• Molecular Weight: 498.01 g/mol
• Exact Mass: 497.13
• IUPAC Name: N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1
• InChI: InChI=1S/C24H24ClN5O3S/c1-15-7-9-16(10-8-15)13-26-20(31)17-4-3-11-30(14-17)24(33)23-29-28-22(34-23)21(32)27-19-6-2-5-18(25)12-19/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,26,31)(H,27,32)/t17-/m0/s1
• InChIKey: JAOICONLVGUXBI-KRWDZBQOSA-N
• XLogP: 3.92
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.01
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 92890586) is N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1.

What is the InChIKey of N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is JAOICONLVGUXBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-15-7-9-16(10-8-15)13-26-20(31)17-4-3-11-30(14-17)24(33)23-29-28-22(34-23)21(32)27-19-6-2-5-18(25)12-19/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,26,31)(H,27,32)/t17-/m0/s1.

What are the key properties of N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92890586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).