3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

C18H20N4OS — CID 133482657

IUPAC3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C18H20N4OS/c1-2-15-12-24-17(19-15)14-9-6-10-22(11-14)18-20-16(23-21-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3
InChIKeyKACVCWXTBQQUEX-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.14
Rot. Bonds4

About 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 133482657) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID133482657
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C18H20N4OS/c1-2-15-12-24-17(19-15)14-9-6-10-22(11-14)18-20-16(23-21-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3
InChIKeyKACVCWXTBQQUEX-UHFFFAOYSA-N
XLogP4.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
CID 86792052
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (CID 133482657) is 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is CCc1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1.
What is the InChIKey of 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is KACVCWXTBQQUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-15-12-24-17(19-15)14-9-6-10-22(11-14)18-20-16(23-21-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3.
What are the key properties of 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 340.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133482657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).