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

C23H22FN5O3S — CID 92890720

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

5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92890720) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92890720
• Molecular Formula: C23H22FN5O3S
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.14
• IUPAC Name: 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)s1
• InChI: InChI=1S/C23H22FN5O3S/c24-18-11-5-4-7-15(18)13-25-19(30)16-8-6-12-29(14-16)23(32)22-28-27-21(33-22)20(31)26-17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2,(H,25,30)(H,26,31)/t16-/m0/s1
• InChIKey: SRCLNRNDHBQTPU-INIZCTEOSA-N
• XLogP: 3.10
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 92890720) is 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

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

The canonical SMILES for 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)s1.

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

The InChIKey is SRCLNRNDHBQTPU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c24-18-11-5-4-7-15(18)13-25-19(30)16-8-6-12-29(14-16)23(32)22-28-27-21(33-22)20(31)26-17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2,(H,25,30)(H,26,31)/t16-/m0/s1.

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

5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92890720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).