N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide

C23H18FN5O2S — CID 51508354

About N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide

N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 51508354) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
• PubChem CID: 51508354
• Molecular Formula: C23H18FN5O2S
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.12
• IUPAC Name: N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
• SMILES: O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1
• InChI: InChI=1S/C23H18FN5O2S/c24-18-8-10-19(11-9-18)29(23(31)20-15-32-28-27-20)21(17-7-4-12-25-14-17)22(30)26-13-16-5-2-1-3-6-16/h1-12,14-15,21H,13H2,(H,26,30)/t21-/m1/s1
• InChIKey: LZDPUCLEHRLTBM-OAQYLSRUSA-N
• XLogP: 3.78
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide (CID 51508354) is N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide.

What is the SMILES notation for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide?

The canonical SMILES for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide is O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1.

What is the InChIKey of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide?

The InChIKey is LZDPUCLEHRLTBM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c24-18-8-10-19(11-9-18)29(23(31)20-15-32-28-27-20)21(17-7-4-12-25-14-17)22(30)26-13-16-5-2-1-3-6-16/h1-12,14-15,21H,13H2,(H,26,30)/t21-/m1/s1.

What are the key properties of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide?

N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 51508354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).