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

C16H18FN5O2S2 — CID 168797558

IUPAC5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
SMILESCc1cc(S(=O)(=O)N2CCC(F)(c3cn4ncnc4cc3C)CC2)sn1
InChIInChI=1S/C16H18FN5O2S2/c1-11-7-14-18-10-19-22(14)9-13(11)16(17)3-5-21(6-4-16)26(23,24)15-8-12(2)20-25-15/h7-10H,3-6H2,1-2H3
InChIKeyNMTDPKYTDOUTPD-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.45
Rot. Bonds3

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

5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole (PubChem CID 168797558) has the molecular formula C16H18FN5O2S2 and a molecular weight of 395.49 g/mol. Its IUPAC name is 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
PubChem CID168797558
Molecular FormulaC16H18FN5O2S2
Molecular Weight395.49 g/mol
Exact Mass395.09
IUPAC Name5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
SMILESCc1cc(S(=O)(=O)N2CCC(F)(c3cn4ncnc4cc3C)CC2)sn1
InChIInChI=1S/C16H18FN5O2S2/c1-11-7-14-18-10-19-22(14)9-13(11)16(17)3-5-21(6-4-16)26(23,24)15-8-12(2)20-25-15/h7-10H,3-6H2,1-2H3
InChIKeyNMTDPKYTDOUTPD-UHFFFAOYSA-N
XLogP2.45
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-4-(7-methyl-[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-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole (CID 168797558) is 5-[4-fluoro-4-(7-methyl-[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-fluoro-4-(7-methyl-[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-fluoro-4-(7-methyl-[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(F)(c3cn4ncnc4cc3C)CC2)sn1.
What is the InChIKey of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?
The InChIKey is NMTDPKYTDOUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2S2/c1-11-7-14-18-10-19-22(14)9-13(11)16(17)3-5-21(6-4-16)26(23,24)15-8-12(2)20-25-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole?
5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole has a molecular weight of 395.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 168797558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).