6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine

C10H12N2O2S — CID 173069281

IUPAC6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine
SMILESc1ccc(C2SCN3OCCON23)cc1
InChIInChI=1S/C10H12N2O2S/c1-2-4-9(5-3-1)10-12-11(8-15-10)13-6-7-14-12/h1-5,10H,6-8H2
InChIKeyBERQEABLGDKVSJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.79
Rot. Bonds1

About 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine

6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine (PubChem CID 173069281) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine.

Molecular Properties

Compound Name6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine
PubChem CID173069281
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine
SMILESc1ccc(C2SCN3OCCON23)cc1
InChIInChI=1S/C10H12N2O2S/c1-2-4-9(5-3-1)10-12-11(8-15-10)13-6-7-14-12/h1-5,10H,6-8H2
InChIKeyBERQEABLGDKVSJ-UHFFFAOYSA-N
XLogP1.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine with MolForge

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Related Compounds

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CID 11401554
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CID 805397
5-chloro-3-methyl-2-phenyl-1,3-thiazolidine
CID 174266525
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 85431501
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
4-chloro-2-phenyl-3-(trifluoromethyl)-1,3-thiazolidine
CID 174269759
3,4-ditert-butyl-2-phenyl-1,3-thiazolidine
CID 70865831
2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
CID 71179455
2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
CID 174264849
(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 67924883

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine?
The IUPAC name of 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine (CID 173069281) is 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine.
What is the SMILES notation for 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine?
The canonical SMILES for 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine is c1ccc(C2SCN3OCCON23)cc1.
What is the InChIKey of 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine?
The InChIKey is BERQEABLGDKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-4-9(5-3-1)10-12-11(8-15-10)13-6-7-14-12/h1-5,10H,6-8H2.
What are the key properties of 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine?
6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine has a molecular weight of 224.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine is sourced from PubChem (CID 173069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).