N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine

C13H17N3S — CID 135732235

IUPACN-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
SMILESCCCc1ccc(C2=CS/C(=N\C)NN2)cc1
InChIInChI=1S/C13H17N3S/c1-3-4-10-5-7-11(8-6-10)12-9-17-13(14-2)16-15-12/h5-9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyREPYKCWCXUERCR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine

N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135732235) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135732235
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
SMILESCCCc1ccc(C2=CS/C(=N\C)NN2)cc1
InChIInChI=1S/C13H17N3S/c1-3-4-10-5-7-11(8-6-10)12-9-17-13(14-2)16-15-12/h5-9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyREPYKCWCXUERCR-UHFFFAOYSA-N
XLogP2.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-5-(4-propylphenyl)-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

Related Compounds

1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-fluoro-4-propylbenzene
CID 2737505
4-(4-propylphenyl)-3H-1,3-thiazol-2-one
CID 43286737
5-(4-propylphenyl)pyrimidine
CID 89220429
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
CID 118390683
5-(3,4-dimethylphenyl)-N-phenyl-3,4-dihydro-1,3,4-thiadiazin-2-imine
CID 135770912
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine (CID 135732235) is N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine is CCCc1ccc(C2=CS/C(=N\C)NN2)cc1.
What is the InChIKey of N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is REPYKCWCXUERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-4-10-5-7-11(8-6-10)12-9-17-13(14-2)16-15-12/h5-9,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine?
N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 247.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-propylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).