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

C17H17ClN6O2S2 — CID 168797834

IUPAC6-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
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1
InChIInChI=1S/C17H17ClN6O2S2/c1-11-8-14-19-10-20-24(14)9-13(11)12-2-4-22(5-3-12)28(25,26)16-15(18)21-17-23(16)6-7-27-17/h6-10,12H,2-5H2,1H3
InChIKeyUUXQBAXDTTZQCY-UHFFFAOYSA-N
MW436.95 g/mol
LogP2.97
Rot. Bonds3

About 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

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 (PubChem CID 168797834) has the molecular formula C17H17ClN6O2S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID168797834
Molecular FormulaC17H17ClN6O2S2
Molecular Weight436.95 g/mol
Exact Mass436.05
IUPAC Name6-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
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1
InChIInChI=1S/C17H17ClN6O2S2/c1-11-8-14-19-10-20-24(14)9-13(11)12-2-4-22(5-3-12)28(25,26)16-15(18)21-17-23(16)6-7-27-17/h6-10,12H,2-5H2,1H3
InChIKeyUUXQBAXDTTZQCY-UHFFFAOYSA-N
XLogP2.97
TPSA84.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 61044840
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
6-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168798119
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392
methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
CID 78926070
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
1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
CID 168797541
6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797679
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1.
What is the InChIKey of 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?
The InChIKey is UUXQBAXDTTZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2S2/c1-11-8-14-19-10-20-24(14)9-13(11)12-2-4-22(5-3-12)28(25,26)16-15(18)21-17-23(16)6-7-27-17/h6-10,12H,2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 436.95 g/mol, XLogP of 2.97, 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-methyl-[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 168797834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).