3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

C10H12N4O2S — CID 106950349

IUPAC3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3cscn3)no2)CCCNC1
InChIInChI=1S/C10H12N4O2S/c15-10(2-1-3-11-5-10)9-13-8(14-16-9)7-4-17-6-12-7/h4,6,11,15H,1-3,5H2
InChIKeySEBVVKBPSSPASB-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.76
Rot. Bonds2

About 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950349) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950349
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3cscn3)no2)CCCNC1
InChIInChI=1S/C10H12N4O2S/c15-10(2-1-3-11-5-10)9-13-8(14-16-9)7-4-17-6-12-7/h4,6,11,15H,1-3,5H2
InChIKeySEBVVKBPSSPASB-UHFFFAOYSA-N
XLogP0.76
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950221
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162188
3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743645
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813506
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950349) is 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OC1(c2nc(-c3cscn3)no2)CCCNC1.
What is the InChIKey of 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is SEBVVKBPSSPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-10(2-1-3-11-5-10)9-13-8(14-16-9)7-4-17-6-12-7/h4,6,11,15H,1-3,5H2.
What are the key properties of 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 252.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).