4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

C11H9Cl2N3O2S — CID 83201543

IUPAC4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H9Cl2N3O2S/c12-5-1-7(13)9(14-2-5)10-15-11(18-16-10)6-3-19-4-8(6)17/h1-2,6,8,17H,3-4H2
InChIKeyVERZNTHVGAOQEV-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.63
Rot. Bonds2

About 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83201543) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83201543
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H9Cl2N3O2S/c12-5-1-7(13)9(14-2-5)10-15-11(18-16-10)6-3-19-4-8(6)17/h1-2,6,8,17H,3-4H2
InChIKeyVERZNTHVGAOQEV-UHFFFAOYSA-N
XLogP2.63
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83201543) is 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is OC1CSCC1c1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is VERZNTHVGAOQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-5-1-7(13)9(14-2-5)10-15-11(18-16-10)6-3-19-4-8(6)17/h1-2,6,8,17H,3-4H2.
What are the key properties of 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 318.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83201543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).