3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

C23H24F3N5O4S — CID 158374172

About 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 158374172) has the molecular formula C23H24F3N5O4S and a molecular weight of 523.54 g/mol. Its IUPAC name is 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 158374172
• Molecular Formula: C23H24F3N5O4S
• Molecular Weight: 523.54 g/mol
• Exact Mass: 523.15
• IUPAC Name: 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Cc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OCCOC2CCCCO2)nc1
• InChI: InChI=1S/C23H24F3N5O4S/c1-14-21(17(36-31-14)10-16-12-28-18(13-27-16)23(24,25)26)22(32)30-15-5-6-19(29-11-15)33-8-9-35-20-4-2-3-7-34-20/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,30,32)
• InChIKey: GUZKPXDEQFCUAA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 108.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The IUPAC name of 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (CID 158374172) is 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is Cc1nsc(Cc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OCCOC2CCCCO2)nc1.

What is the InChIKey of 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The InChIKey is GUZKPXDEQFCUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O4S/c1-14-21(17(36-31-14)10-16-12-28-18(13-27-16)23(24,25)26)22(32)30-15-5-6-19(29-11-15)33-8-9-35-20-4-2-3-7-34-20/h5-6,11-13,20H,2-4,7-10H2,1H3,(H,30,32).

What are the key properties of 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[6-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 158374172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).