N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide

C15H20BrN3S — CID 135840820

IUPACN-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
SMILESBr.c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C15H19N3S.BrH/c1-3-7-12(8-4-1)14-11-19-15(18-17-14)16-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18);1H
InChIKeyKFDNDBLXFQDITM-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.99
Rot. Bonds2

About N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide

N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide (PubChem CID 135840820) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
PubChem CID135840820
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
SMILESBr.c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C15H19N3S.BrH/c1-3-7-12(8-4-1)14-11-19-15(18-17-14)16-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18);1H
InChIKeyKFDNDBLXFQDITM-UHFFFAOYSA-N
XLogP3.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.99
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-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide?
The IUPAC name of N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide (CID 135840820) is N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide.
What is the SMILES notation for N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide?
The canonical SMILES for N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide is Br.c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1.
What is the InChIKey of N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide?
The InChIKey is KFDNDBLXFQDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S.BrH/c1-3-7-12(8-4-1)14-11-19-15(18-17-14)16-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18);1H.
What are the key properties of N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide?
N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide has a molecular weight of 354.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide is sourced from PubChem (CID 135840820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).