methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate

C11H10ClN3OS — CID 167583574

IUPACmethyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate
SMILESCSC(C)=Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClN3OS/c1-7(17-2)13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,1-2H3
InChIKeyHXTODAAYEWQEBT-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.80
Rot. Bonds2

About methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate

methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate (PubChem CID 167583574) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate.

Molecular Properties

Compound Namemethyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate
PubChem CID167583574
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Namemethyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate
SMILESCSC(C)=Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClN3OS/c1-7(17-2)13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,1-2H3
InChIKeyHXTODAAYEWQEBT-UHFFFAOYSA-N
XLogP3.80
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate 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 methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate?
The IUPAC name of methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate (CID 167583574) is methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate.
What is the SMILES notation for methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate?
The canonical SMILES for methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate is CSC(C)=Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate?
The InChIKey is HXTODAAYEWQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(17-2)13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,1-2H3.
What are the key properties of methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate?
methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate has a molecular weight of 267.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate is sourced from PubChem (CID 167583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).