3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine

C23H28F3N7O2S — CID 144895062

About 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine

3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine (PubChem CID 144895062) has the molecular formula C23H28F3N7O2S and a molecular weight of 523.59 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine.

Molecular Properties

• Compound Name: 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine
• PubChem CID: 144895062
• Molecular Formula: C23H28F3N7O2S
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.20
• IUPAC Name: 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine
• SMILES: CCCN1CCCCC1.Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1
• InChI: InChI=1S/C15H11F3N6O2S.C8H17N/c1-7-12(13(26)22-8-2-3-11(25)21-4-8)14(27-24-7)23-10-6-19-9(5-20-10)15(16,17)18;1-2-6-9-7-4-3-5-8-9/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);2-8H2,1H3
• InChIKey: NRZIHLLVBQCJTK-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine?

The IUPAC name of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine (CID 144895062) is 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine.

What is the SMILES notation for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine?

The canonical SMILES for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine is CCCN1CCCCC1.Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.

What is the InChIKey of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine?

The InChIKey is NRZIHLLVBQCJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2S.C8H17N/c1-7-12(13(26)22-8-2-3-11(25)21-4-8)14(27-24-7)23-10-6-19-9(5-20-10)15(16,17)18;1-2-6-9-7-4-3-5-8-9/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);2-8H2,1H3.

What are the key properties of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine?

3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine has a molecular weight of 523.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine is sourced from PubChem (CID 144895062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).