5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole

C15H16FN5O2S2 — CID 168797919

About 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole

5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole (PubChem CID 168797919) has the molecular formula C15H16FN5O2S2 and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
• PubChem CID: 168797919
• Molecular Formula: C15H16FN5O2S2
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.07
• IUPAC Name: 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
• SMILES: Cc1cc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)sn1
• InChI: InChI=1S/C15H16FN5O2S2/c1-10-6-15(24-19-10)25(22,23)20-4-2-11(3-5-20)12-8-21-14(7-13(12)16)17-9-18-21/h6-9,11H,2-5H2,1H3
• InChIKey: UBHMHMPJRSBENR-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 80.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?

The IUPAC name of 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole (CID 168797919) is 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole.

What is the SMILES notation for 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?

The canonical SMILES for 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole is Cc1cc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)sn1.

What is the InChIKey of 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?

The InChIKey is UBHMHMPJRSBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S2/c1-10-6-15(24-19-10)25(22,23)20-4-2-11(3-5-20)12-8-21-14(7-13(12)16)17-9-18-21/h6-9,11H,2-5H2,1H3.

What are the key properties of 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?

5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole has a molecular weight of 381.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 168797919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).