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

C23H18FN5O2S — CID 51552912

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

N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 51552912) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
• PubChem CID: 51552912
• Molecular Formula: C23H18FN5O2S
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.12
• IUPAC Name: N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
• SMILES: O=C(NCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1
• InChI: InChI=1S/C23H18FN5O2S/c24-17-9-11-18(12-10-17)29(23(31)20-15-32-28-27-20)21(19-8-4-5-13-25-19)22(30)26-14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H,26,30)/t21-/m0/s1
• InChIKey: YVDXTSAURBFBPN-NRFANRHFSA-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-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide (CID 51552912) is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide is O=C(NCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1.

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

The InChIKey is YVDXTSAURBFBPN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c24-17-9-11-18(12-10-17)29(23(31)20-15-32-28-27-20)21(19-8-4-5-13-25-19)22(30)26-14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H,26,30)/t21-/m0/s1.

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

N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-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-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 51552912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).