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

C16H14ClFN6O2S2 — CID 168797510

IUPAC6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC(c2cn3ncnc3cc2F)CC1
InChIInChI=1S/C16H14ClFN6O2S2/c17-14-15(23-5-6-27-16(23)21-14)28(25,26)22-3-1-10(2-4-22)11-8-24-13(7-12(11)18)19-9-20-24/h5-10H,1-4H2
InChIKeyDSMOQLSDPONVEO-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.80
Rot. Bonds3

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

6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 168797510) has the molecular formula C16H14ClFN6O2S2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID168797510
Molecular FormulaC16H14ClFN6O2S2
Molecular Weight440.91 g/mol
Exact Mass440.03
IUPAC Name6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC(c2cn3ncnc3cc2F)CC1
InChIInChI=1S/C16H14ClFN6O2S2/c17-14-15(23-5-6-27-16(23)21-14)28(25,26)22-3-1-10(2-4-22)11-8-24-13(7-12(11)18)19-9-20-24/h5-10H,1-4H2
InChIKeyDSMOQLSDPONVEO-UHFFFAOYSA-N
XLogP2.80
TPSA84.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

6-chloro-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 168797834
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
6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 61044840
7-fluoro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797494
methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
CID 78926070
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylimidazolidin-2-one
CID 61215509
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
7-chloro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797936
2-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-5-methyl-1,3,4-oxadiazole
CID 162361079
2-[4-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1-methylpyrazol-5-yl]acetonitrile
CID 168797792
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
CID 142309567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole (CID 168797510) is 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)N1CCC(c2cn3ncnc3cc2F)CC1.
What is the InChIKey of 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is DSMOQLSDPONVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN6O2S2/c17-14-15(23-5-6-27-16(23)21-14)28(25,26)22-3-1-10(2-4-22)11-8-24-13(7-12(11)18)19-9-20-24/h5-10H,1-4H2.
What are the key properties of 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 440.91 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 168797510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).