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

C14H20N4OS — CID 75462080

IUPAC5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCC(c3nc(C)no3)CC2)cs1
InChIInChI=1S/C14H20N4OS/c1-3-13-16-12(9-20-13)8-18-6-4-11(5-7-18)14-15-10(2)17-19-14/h9,11H,3-8H2,1-2H3
InChIKeyXMZNLCDFNGUBJX-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.78
Rot. Bonds4

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

5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75462080) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID75462080
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCC(c3nc(C)no3)CC2)cs1
InChIInChI=1S/C14H20N4OS/c1-3-13-16-12(9-20-13)8-18-6-4-11(5-7-18)14-15-10(2)17-19-14/h9,11H,3-8H2,1-2H3
InChIKeyXMZNLCDFNGUBJX-UHFFFAOYSA-N
XLogP2.78
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818959
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272943
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124810298
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 75462080) is 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is CCc1nc(CN2CCC(c3nc(C)no3)CC2)cs1.
What is the InChIKey of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XMZNLCDFNGUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-13-16-12(9-20-13)8-18-6-4-11(5-7-18)14-15-10(2)17-19-14/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 292.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75462080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).