5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole

C12H16N4OS — CID 103619120

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C)c(-c2nc(C3CCCCN3)no2)s1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-8(2)14-7)12-15-11(16-17-12)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3
InChIKeyBWHLMNHMITYVRU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.62
Rot. Bonds2

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole

5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 103619120) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID103619120
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C)c(-c2nc(C3CCCCN3)no2)s1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-8(2)14-7)12-15-11(16-17-12)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3
InChIKeyBWHLMNHMITYVRU-UHFFFAOYSA-N
XLogP2.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65207261
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-(azepan-2-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 103972221
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 54944807
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 103619120) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is Cc1nc(C)c(-c2nc(C3CCCCN3)no2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is BWHLMNHMITYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-10(18-8(2)14-7)12-15-11(16-17-12)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3.
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 103619120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).