5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione

C7H10N2O2S — CID 81330066

IUPAC5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC1CCC(c2n[nH]c(=S)o2)O1
InChIInChI=1S/C7H10N2O2S/c1-4-2-3-5(10-4)6-8-9-7(12)11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyAUJYCGPAMCKSPJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.97
Rot. Bonds1

About 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione

5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 81330066) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID81330066
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC1CCC(c2n[nH]c(=S)o2)O1
InChIInChI=1S/C7H10N2O2S/c1-4-2-3-5(10-4)6-8-9-7(12)11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyAUJYCGPAMCKSPJ-UHFFFAOYSA-N
XLogP1.97
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione
CID 107002027
1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327802
5-[(2R,4R)-4-methylpiperidin-2-yl]-3H-1,3,4-oxadiazole-2-thione
CID 67801962
N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327288
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81327538
2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 116996025
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]-1-phenylmethanamine
CID 81327117
5-(1,1-dioxothian-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 104520182
2-(2-chloroethyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330388
[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81327285
3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128973234

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione (CID 81330066) is 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione is CC1CCC(c2n[nH]c(=S)o2)O1.
What is the InChIKey of 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is AUJYCGPAMCKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-2-3-5(10-4)6-8-9-7(12)11-6/h4-5H,2-3H2,1H3,(H,9,12).
What are the key properties of 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 186.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 81330066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).