N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline

C15H14N4S — CID 135759050

IUPACN-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline
SMILESc1ccc(N/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C15H14N4S/c1-3-7-12(8-4-1)14-11-20-15(19-17-14)18-16-13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,19)
InChIKeyZSLYYOHSHWQZJF-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.11
Rot. Bonds3

About N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline

N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline (PubChem CID 135759050) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline.

Molecular Properties

Compound NameN-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline
PubChem CID135759050
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline
SMILESc1ccc(N/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C15H14N4S/c1-3-7-12(8-4-1)14-11-20-15(19-17-14)18-16-13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,19)
InChIKeyZSLYYOHSHWQZJF-UHFFFAOYSA-N
XLogP3.11
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline?
The IUPAC name of N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline (CID 135759050) is N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline.
What is the SMILES notation for N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline?
The canonical SMILES for N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline is c1ccc(N/N=C2/NN=C(c3ccccc3)CS2)cc1.
What is the InChIKey of N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline?
The InChIKey is ZSLYYOHSHWQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-3-7-12(8-4-1)14-11-20-15(19-17-14)18-16-13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,19).
What are the key properties of N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline?
N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline has a molecular weight of 282.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline is sourced from PubChem (CID 135759050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).