3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

C21H24N6O2S2 — CID 131985139

IUPAC3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5cncs5)nc4s3)CC2)n1
InChIInChI=1S/C21H24N6O2S2/c1-12(2)18-25-20(29-26-18)27-8-6-14(7-9-27)13(3)28-21-24-16-5-4-15(23-19(16)31-21)17-10-22-11-30-17/h4-5,10-14H,6-9H2,1-3H3
InChIKeyDKEDNKHVNGGJEI-UHFFFAOYSA-N
MW456.60 g/mol
LogP5.01
Rot. Bonds6

About 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985139) has the molecular formula C21H24N6O2S2 and a molecular weight of 456.60 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID131985139
Molecular FormulaC21H24N6O2S2
Molecular Weight456.60 g/mol
Exact Mass456.14
IUPAC Name3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5cncs5)nc4s3)CC2)n1
InChIInChI=1S/C21H24N6O2S2/c1-12(2)18-25-20(29-26-18)27-8-6-14(7-9-27)13(3)28-21-24-16-5-4-15(23-19(16)31-21)17-10-22-11-30-17/h4-5,10-14H,6-9H2,1-3H3
InChIKeyDKEDNKHVNGGJEI-UHFFFAOYSA-N
XLogP5.01
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985139) is 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5cncs5)nc4s3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is DKEDNKHVNGGJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S2/c1-12(2)18-25-20(29-26-18)27-8-6-14(7-9-27)13(3)28-21-24-16-5-4-15(23-19(16)31-21)17-10-22-11-30-17/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 456.60 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).