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

C24H21N5O2S — CID 51552664

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

N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 51552664) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
• PubChem CID: 51552664
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccccn2)cc1
• InChI: InChI=1S/C24H21N5O2S/c1-17-10-12-19(13-11-17)29(24(31)21-16-32-28-27-21)22(20-9-5-6-14-25-20)23(30)26-15-18-7-3-2-4-8-18/h2-14,16,22H,15H2,1H3,(H,26,30)/t22-/m0/s1
• InChIKey: BUPWBCNNAHWKOY-QFIPXVFZSA-N
• XLogP: 3.95
• 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	443.53
LogP ≤ 5	3.95
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-methylphenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (CID 51552664) is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccccn2)cc1.

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

The InChIKey is BUPWBCNNAHWKOY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-17-10-12-19(13-11-17)29(24(31)21-16-32-28-27-21)22(20-9-5-6-14-25-20)23(30)26-15-18-7-3-2-4-8-18/h2-14,16,22H,15H2,1H3,(H,26,30)/t22-/m0/s1.

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

N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.95, 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-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 51552664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).