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

C22H26F3N7O2S — CID 144895113

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

1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 144895113) has the molecular formula C22H26F3N7O2S and a molecular weight of 509.56 g/mol. Its IUPAC name is 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• PubChem CID: 144895113
• Molecular Formula: C22H26F3N7O2S
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.18
• IUPAC Name: 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• SMILES: CCN1CCCCC1.Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1
• InChI: InChI=1S/C15H11F3N6O2S.C7H15N/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;1-2-8-6-4-3-5-7-8/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);2-7H2,1H3
• InChIKey: FJFVVVBEIWCPBA-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 144895113) is 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

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

The canonical SMILES for 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is CCN1CCCCC1.Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.

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

The InChIKey is FJFVVVBEIWCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2S.C7H15N/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;1-2-8-6-4-3-5-7-8/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);2-7H2,1H3.

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

1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 509.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 144895113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).