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

C14H20N4OS — CID 91838515

IUPAC2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCCC2c2nccs2)o1
InChIInChI=1S/C14H20N4OS/c1-10(2)13-17-16-12(19-13)9-18-7-4-3-5-11(18)14-15-6-8-20-14/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyPPBNHXXYEJEKNZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.38
Rot. Bonds4

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

2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 91838515) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID91838515
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCCC2c2nccs2)o1
InChIInChI=1S/C14H20N4OS/c1-10(2)13-17-16-12(19-13)9-18-7-4-3-5-11(18)14-15-6-8-20-14/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyPPBNHXXYEJEKNZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
CID 122139894
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124609264
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 91838515) is 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCCCC2c2nccs2)o1.
What is the InChIKey of 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is PPBNHXXYEJEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(2)13-17-16-12(19-13)9-18-7-4-3-5-11(18)14-15-6-8-20-14/h6,8,10-11H,3-5,7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 292.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91838515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).