N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H21N3S — CID 135420475

IUPACN-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC1CCCCC1/N=C1/NN=C(c2ccccc2)CS1
InChIInChI=1S/C16H21N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,17,19)
InChIKeyOZHGISCQMWQCGM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.66
Rot. Bonds2

About N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135420475) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135420475
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC1CCCCC1/N=C1/NN=C(c2ccccc2)CS1
InChIInChI=1S/C16H21N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,17,19)
InChIKeyOZHGISCQMWQCGM-UHFFFAOYSA-N
XLogP3.66
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135420475) is N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is CC1CCCCC1/N=C1/NN=C(c2ccccc2)CS1.
What is the InChIKey of N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is OZHGISCQMWQCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 287.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135420475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).