2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C24H17N5OS — CID 55810221

About 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 55810221) has the molecular formula C24H17N5OS and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 55810221
• Molecular Formula: C24H17N5OS
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.12
• IUPAC Name: 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccccn4)s3)c3ccccc3n2)cc1
• InChI: InChI=1S/C24H17N5OS/c1-15-9-11-16(12-10-15)21-14-18(17-6-2-3-7-19(17)26-21)22(30)27-24-29-28-23(31-24)20-8-4-5-13-25-20/h2-14H,1H3,(H,27,29,30)
• InChIKey: JREMZVDCDXCZPV-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 80.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 55810221) is 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccccn4)s3)c3ccccc3n2)cc1.

What is the InChIKey of 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?

The InChIKey is JREMZVDCDXCZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5OS/c1-15-9-11-16(12-10-15)21-14-18(17-6-2-3-7-19(17)26-21)22(30)27-24-29-28-23(31-24)20-8-4-5-13-25-20/h2-14H,1H3,(H,27,29,30).

What are the key properties of 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?

2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 55810221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).