2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine

C16H15N3OS — CID 10469918

IUPAC2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H15N3OS/c1-17-16-18-15(12-6-4-3-5-7-12)19(21-16)13-8-10-14(20-2)11-9-13/h3-11H,1-2H3/b17-16+
InChIKeyOSJMIGUSUGUOSF-WUKNDPDISA-N
MW297.38 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine

2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine (PubChem CID 10469918) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
PubChem CID10469918
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H15N3OS/c1-17-16-18-15(12-6-4-3-5-7-12)19(21-16)13-8-10-14(20-2)11-9-13/h3-11H,1-2H3/b17-16+
InChIKeyOSJMIGUSUGUOSF-WUKNDPDISA-N
XLogP3.14
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine 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 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine (CID 10469918) is 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine is C/N=c1\nc(-c2ccccc2)n(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is OSJMIGUSUGUOSF-WUKNDPDISA-N. The full InChI is InChI=1S/C16H15N3OS/c1-17-16-18-15(12-6-4-3-5-7-12)19(21-16)13-8-10-14(20-2)11-9-13/h3-11H,1-2H3/b17-16+.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 297.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 10469918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).