N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide

C24H24ClFN6O3S — CID 58894017

About N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide (PubChem CID 58894017) has the molecular formula C24H24ClFN6O3S and a molecular weight of 531.01 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
• PubChem CID: 58894017
• Molecular Formula: C24H24ClFN6O3S
• Molecular Weight: 531.01 g/mol
• Exact Mass: 530.13
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)Cc3ccccc3F)sc2C1
• InChI: InChI=1S/C24H24ClFN6O3S/c1-32-9-8-18-19(13-32)36-24(30-18)23(35)29-16(10-14-4-2-3-5-17(14)26)12-28-21(33)22(34)31-20-7-6-15(25)11-27-20/h2-7,11,16H,8-10,12-13H2,1H3,(H,28,33)(H,29,35)(H,27,31,34)
• InChIKey: VDIGRRRHKZKNCF-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 116.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.01
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide (CID 58894017) is N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide.

What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)Cc3ccccc3F)sc2C1.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?

The InChIKey is VDIGRRRHKZKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O3S/c1-32-9-8-18-19(13-32)36-24(30-18)23(35)29-16(10-14-4-2-3-5-17(14)26)12-28-21(33)22(34)31-20-7-6-15(25)11-27-20/h2-7,11,16H,8-10,12-13H2,1H3,(H,28,33)(H,29,35)(H,27,31,34).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?

N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide has a molecular weight of 531.01 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide is sourced from PubChem (CID 58894017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).