3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

C10H12N2O2S2 — CID 66126795

IUPAC3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESOCCCSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2
InChIKeyOEDKTUIXCWXZMA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.41
Rot. Bonds6

About 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 66126795) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
PubChem CID66126795
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESOCCCSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2
InChIKeyOEDKTUIXCWXZMA-UHFFFAOYSA-N
XLogP2.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (CID 66126795) is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is OCCCSCc1nnc(-c2cccs2)o1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is OEDKTUIXCWXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2.
What are the key properties of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66126795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).