N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C17H17N3OS — CID 135454497

IUPACN-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCOc1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C17H17N3OS/c1-21-15-9-7-13(8-10-15)11-18-17-20-19-16(12-22-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyVDZNVYMUHYFTJS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135454497) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135454497
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCOc1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C17H17N3OS/c1-21-15-9-7-13(8-10-15)11-18-17-20-19-16(12-22-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyVDZNVYMUHYFTJS-UHFFFAOYSA-N
XLogP3.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[(4-methoxyphenyl)methylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 135672733
N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135672885
5-(3-methoxyphenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135516241
5-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672731
6-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-3H-1,3-benzoxazol-2-one
CID 135550243
N-[(Z)-(5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)amino]aniline
CID 135759050
5-(3,4-dimethoxyphenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672842
3-[2-(4-methoxyphenyl)ethyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 44513964
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860
5-(1H-indol-3-yl)-N-(4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135494113
5-(3-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135849387
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135454497) is N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is COc1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is VDZNVYMUHYFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-21-15-9-7-13(8-10-15)11-18-17-20-19-16(12-22-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 311.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135454497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).