N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine

C16H14ClN3S — CID 135753605

IUPACN-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccc(C2=CS/C(=N\c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-10-21-16(20-19-15)18-14-5-3-2-4-13(14)17/h2-10,19H,1H3,(H,18,20)
InChIKeyCRXBCLMARIYTCX-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.48
Rot. Bonds2

About N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine

N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135753605) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135753605
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC NameN-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccc(C2=CS/C(=N\c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-10-21-16(20-19-15)18-14-5-3-2-4-13(14)17/h2-10,19H,1H3,(H,18,20)
InChIKeyCRXBCLMARIYTCX-UHFFFAOYSA-N
XLogP4.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-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 N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine (CID 135753605) is N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine is Cc1ccc(C2=CS/C(=N\c3ccccc3Cl)NN2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is CRXBCLMARIYTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-10-21-16(20-19-15)18-14-5-3-2-4-13(14)17/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 315.83 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).