2,5-diphenyl-1,3,5-thiadiazinane-4-thione

C15H14N2S2 — CID 20813296

IUPAC2,5-diphenyl-1,3,5-thiadiazinane-4-thione
SMILESS=C1NC(c2ccccc2)SCN1c1ccccc1
InChIInChI=1S/C15H14N2S2/c18-15-16-14(12-7-3-1-4-8-12)19-11-17(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,18)
InChIKeyZZIALQWPGJVMTO-UHFFFAOYSA-N
MW286.43 g/mol
LogP3.77
Rot. Bonds2

About 2,5-diphenyl-1,3,5-thiadiazinane-4-thione

2,5-diphenyl-1,3,5-thiadiazinane-4-thione (PubChem CID 20813296) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2,5-diphenyl-1,3,5-thiadiazinane-4-thione.

Molecular Properties

Compound Name2,5-diphenyl-1,3,5-thiadiazinane-4-thione
PubChem CID20813296
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2,5-diphenyl-1,3,5-thiadiazinane-4-thione
SMILESS=C1NC(c2ccccc2)SCN1c1ccccc1
InChIInChI=1S/C15H14N2S2/c18-15-16-14(12-7-3-1-4-8-12)19-11-17(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,18)
InChIKeyZZIALQWPGJVMTO-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one
CID 141143649
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
5-chloro-3-phenyl-1,3-thiazolidin-4-one
CID 54121276
3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one
CID 102330329
(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane
CID 11401554
(4S)-4-phenyl-1,3-oxazolidine
CID 54050063
5-benzyl-2-phenyl-1,3,5-thiadiazocane-4,6-dione
CID 134172463
1-phenyl-3-trimethylsilylazetidine-2-thione
CID 15246515
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
(3aS,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-2-thione
CID 39358818
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810
(3R,3aS,6aR)-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1384542

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3,5-thiadiazinane-4-thione?
The IUPAC name of 2,5-diphenyl-1,3,5-thiadiazinane-4-thione (CID 20813296) is 2,5-diphenyl-1,3,5-thiadiazinane-4-thione.
What is the SMILES notation for 2,5-diphenyl-1,3,5-thiadiazinane-4-thione?
The canonical SMILES for 2,5-diphenyl-1,3,5-thiadiazinane-4-thione is S=C1NC(c2ccccc2)SCN1c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1,3,5-thiadiazinane-4-thione?
The InChIKey is ZZIALQWPGJVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c18-15-16-14(12-7-3-1-4-8-12)19-11-17(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,18).
What are the key properties of 2,5-diphenyl-1,3,5-thiadiazinane-4-thione?
2,5-diphenyl-1,3,5-thiadiazinane-4-thione has a molecular weight of 286.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3,5-thiadiazinane-4-thione is sourced from PubChem (CID 20813296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).