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

C12H16N4OS — CID 62797882

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(C3CCCNC3)n2)cs1
InChIInChI=1S/C12H16N4OS/c1-8-14-10(7-18-8)5-11-15-12(17-16-11)9-3-2-4-13-6-9/h7,9,13H,2-6H2,1H3
InChIKeyNWGGVSADFNUTNL-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.89
Rot. Bonds3

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

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 62797882) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID62797882
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(C3CCCNC3)n2)cs1
InChIInChI=1S/C12H16N4OS/c1-8-14-10(7-18-8)5-11-15-12(17-16-11)9-3-2-4-13-6-9/h7,9,13H,2-6H2,1H3
InChIKeyNWGGVSADFNUTNL-UHFFFAOYSA-N
XLogP1.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900529
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63349394
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352407
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 62797882) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole is Cc1nc(Cc2noc(C3CCCNC3)n2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is NWGGVSADFNUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-14-10(7-18-8)5-11-15-12(17-16-11)9-3-2-4-13-6-9/h7,9,13H,2-6H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62797882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).