N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C24H24ClN5O3S — CID 92890813

About N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92890813) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92890813
• Molecular Formula: C24H24ClN5O3S
• Molecular Weight: 498.01 g/mol
• Exact Mass: 497.13
• IUPAC Name: N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1
• InChI: InChI=1S/C24H24ClN5O3S/c1-14-5-6-15(2)19(12-14)27-20(31)16-4-3-11-30(13-16)24(33)23-29-28-22(34-23)21(32)26-18-9-7-17(25)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,32)(H,27,31)/t16-/m1/s1
• InChIKey: FCKSZYFFTKEJQE-MRXNPFEDSA-N
• XLogP: 4.55
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.01
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 92890813) is N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

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

The canonical SMILES for N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1.

What is the InChIKey of N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is FCKSZYFFTKEJQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-14-5-6-15(2)19(12-14)27-20(31)16-4-3-11-30(13-16)24(33)23-29-28-22(34-23)21(32)26-18-9-7-17(25)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,32)(H,27,31)/t16-/m1/s1.

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

N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92890813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).