[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate

C10H17N3OS2 — CID 52668200

IUPAC[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[C@@H](C)c1nnc(C)o1
InChIInChI=1S/C10H17N3OS2/c1-5-13(6-2)10(15)16-7(3)9-12-11-8(4)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyQKZBCKJYFLFLPT-ZETCQYMHSA-N
MW259.40 g/mol
LogP2.80
Rot. Bonds4

About [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate

[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate (PubChem CID 52668200) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate
PubChem CID52668200
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[C@@H](C)c1nnc(C)o1
InChIInChI=1S/C10H17N3OS2/c1-5-13(6-2)10(15)16-7(3)9-12-11-8(4)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyQKZBCKJYFLFLPT-ZETCQYMHSA-N
XLogP2.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate (CID 52668200) is [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)S[C@@H](C)c1nnc(C)o1.
What is the InChIKey of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate?
The InChIKey is QKZBCKJYFLFLPT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-5-13(6-2)10(15)16-7(3)9-12-11-8(4)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate?
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate has a molecular weight of 259.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 52668200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).