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

C13H18N4OS — CID 104597566

IUPAC5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(C3(C)CCCCN3)n2)n1
InChIInChI=1S/C13H18N4OS/c1-9-8-19-11(15-9)7-10-16-12(18-17-10)13(2)5-3-4-6-14-13/h8,14H,3-7H2,1-2H3
InChIKeyFNWMZLNFIOAIDD-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds3

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

5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 104597566) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID104597566
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(C3(C)CCCCN3)n2)n1
InChIInChI=1S/C13H18N4OS/c1-9-8-19-11(15-9)7-10-16-12(18-17-10)13(2)5-3-4-6-14-13/h8,14H,3-7H2,1-2H3
InChIKeyFNWMZLNFIOAIDD-UHFFFAOYSA-N
XLogP2.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145200
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125802
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
3-[(6-methoxy-3-pyridinyl)methyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597636
N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 65242981
N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 79078362
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 94605740
3-[(3-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597617
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (CID 104597566) is 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is Cc1csc(Cc2noc(C3(C)CCCCN3)n2)n1.
What is the InChIKey of 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FNWMZLNFIOAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-8-19-11(15-9)7-10-16-12(18-17-10)13(2)5-3-4-6-14-13/h8,14H,3-7H2,1-2H3.
What are the key properties of 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 278.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 104597566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).