2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one

C16H10N4OS — CID 11748777

IUPAC2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one
SMILESO=C1N=C2SC(c3ccccc3)=NN2/C1=N/c1ccccc1
InChIInChI=1S/C16H10N4OS/c21-14-13(17-12-9-5-2-6-10-12)20-16(18-14)22-15(19-20)11-7-3-1-4-8-11/h1-10H/b17-13+
InChIKeyOZSNLVBOSBGJCZ-GHRIWEEISA-N
MW306.35 g/mol
LogP3.02
Rot. Bonds2

About 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one

2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one (PubChem CID 11748777) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one.

Molecular Properties

Compound Name2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one
PubChem CID11748777
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one
SMILESO=C1N=C2SC(c3ccccc3)=NN2/C1=N/c1ccccc1
InChIInChI=1S/C16H10N4OS/c21-14-13(17-12-9-5-2-6-10-12)20-16(18-14)22-15(19-20)11-7-3-1-4-8-11/h1-10H/b17-13+
InChIKeyOZSNLVBOSBGJCZ-GHRIWEEISA-N
XLogP3.02
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-imino-6-[(2-methylphenyl)methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2895132
2-phenyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-5-one
CID 70892558
(6Z)-5-imino-2-phenyl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2278421
6-benzylidene-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 847136
2-phenyl-5a,6,7,8,9,9a-hexahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 134910025
2-phenyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
CID 66553209
5-imino-6-[[3-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2895092
4-[5-[(Z)-(5-imino-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate
CID 2277532
(6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2278005
5-imino-2-(4-methylphenyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2900995
(6Z)-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2024061
(6Z)-5-imino-6-[[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2277727

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one?
The IUPAC name of 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one (CID 11748777) is 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one.
What is the SMILES notation for 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one?
The canonical SMILES for 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one is O=C1N=C2SC(c3ccccc3)=NN2/C1=N/c1ccccc1.
What is the InChIKey of 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one?
The InChIKey is OZSNLVBOSBGJCZ-GHRIWEEISA-N. The full InChI is InChI=1S/C16H10N4OS/c21-14-13(17-12-9-5-2-6-10-12)20-16(18-14)22-15(19-20)11-7-3-1-4-8-11/h1-10H/b17-13+.
What are the key properties of 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one?
2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one has a molecular weight of 306.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenyliminoimidazo[2,1-b][1,3,4]thiadiazol-6-one is sourced from PubChem (CID 11748777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).