3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one

C16H15N3OS — CID 154246141

IUPAC3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
SMILESCN1C(=O)N(c2ccccc2)CS/C1=N\c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-18-15(17-13-8-4-2-5-9-13)21-12-19(16(18)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15-
InChIKeyZGOHCJXAEGQJOU-ICFOKQHNSA-N
MW297.38 g/mol
LogP3.94
Rot. Bonds2

About 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one

3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one (PubChem CID 154246141) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
PubChem CID154246141
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
SMILESCN1C(=O)N(c2ccccc2)CS/C1=N\c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-18-15(17-13-8-4-2-5-9-13)21-12-19(16(18)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15-
InChIKeyZGOHCJXAEGQJOU-ICFOKQHNSA-N
XLogP3.94
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(2-methylphenyl)imino-5-phenyl-1,3,5-thiadiazinan-4-one
CID 21314718
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine
CID 23128591
3-amino-2-phenylimino-1,3-thiazolidin-4-one
CID 6456050
2-cyclopropylimino-3-[[4-(3,3-dimethylbut-1-enyl)phenyl]methyl]-5-phenyl-1,3,5-thiadiazinan-4-one
CID 139680248
3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 1391562
1-methyl-3-phenyl-1,3-diazinane-2,5-dione
CID 22323527
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
CID 70019862
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
3-[3-(4-tert-butylphenyl)prop-2-enyl]-2-cyclopropylimino-5-phenyl-1,3,5-thiadiazinan-4-one
CID 139680259
1-phenyl-3-phenyliminopyrrolidine-2,5-dione
CID 57166178
3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 121015318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one?
The IUPAC name of 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one (CID 154246141) is 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one.
What is the SMILES notation for 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one?
The canonical SMILES for 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one is CN1C(=O)N(c2ccccc2)CS/C1=N\c1ccccc1.
What is the InChIKey of 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one?
The InChIKey is ZGOHCJXAEGQJOU-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-18-15(17-13-8-4-2-5-9-13)21-12-19(16(18)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15-.
What are the key properties of 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one?
3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one is sourced from PubChem (CID 154246141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).