5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide

C20H17FN6OS — CID 176859980

About 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide

5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide (PubChem CID 176859980) has the molecular formula C20H17FN6OS and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
• PubChem CID: 176859980
• Molecular Formula: C20H17FN6OS
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.12
• IUPAC Name: 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
• SMILES: Cc1cccc(-c2nc(NC(=O)c3nn(C)nc3-c3ccc(F)cc3)sc2C)n1
• InChI: InChI=1S/C20H17FN6OS/c1-11-5-4-6-15(22-11)16-12(2)29-20(23-16)24-19(28)18-17(25-27(3)26-18)13-7-9-14(21)10-8-13/h4-10H,1-3H3,(H,23,24,28)
• InChIKey: WYXCSJIRNPPFSW-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide (CID 176859980) is 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide is Cc1cccc(-c2nc(NC(=O)c3nn(C)nc3-c3ccc(F)cc3)sc2C)n1.

What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?

The InChIKey is WYXCSJIRNPPFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6OS/c1-11-5-4-6-15(22-11)16-12(2)29-20(23-16)24-19(28)18-17(25-27(3)26-18)13-7-9-14(21)10-8-13/h4-10H,1-3H3,(H,23,24,28).

What are the key properties of 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?

5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 176859980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).