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

C14H20N4O2S — CID 63869406

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(CCOC3CCNCC3)n2)n1
InChIInChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)8-12-17-13(20-18-12)4-7-19-11-2-5-15-6-3-11/h9,11,15H,2-8H2,1H3
InChIKeyQBDBWILJBKJLFS-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.74
Rot. Bonds6

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

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (PubChem CID 63869406) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
PubChem CID63869406
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(CCOC3CCNCC3)n2)n1
InChIInChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)8-12-17-13(20-18-12)4-7-19-11-2-5-15-6-3-11/h9,11,15H,2-8H2,1H3
InChIKeyQBDBWILJBKJLFS-UHFFFAOYSA-N
XLogP1.74
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-butyl-2-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 39531936
2-(4-Methyl-1,3-thiazol-2-yl)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 53539034
2-(4-Methyl-1,3-thiazol-2-yl)-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 53539180
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53587401
N-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55120943
3-[(4-Methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 55120945
N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 55120992
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55122968
N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201082
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62795122
1-Amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 62795286
N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62796502

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (CID 63869406) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is Cc1csc(Cc2noc(CCOC3CCNCC3)n2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The InChIKey is QBDBWILJBKJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)8-12-17-13(20-18-12)4-7-19-11-2-5-15-6-3-11/h9,11,15H,2-8H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole has a molecular weight of 308.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63869406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).