6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C13H9N5O3S2 — CID 21110249

IUPAC6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3cc(-c4ccccc4)no3)nc2s1
InChIInChI=1S/C13H9N5O3S2/c14-23(19,20)13-16-18-7-10(15-12(18)22-13)11-6-9(17-21-11)8-4-2-1-3-5-8/h1-7H,(H2,14,19,20)
InChIKeyXWJCIFFMQLCENB-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.76
Rot. Bonds3

About 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 21110249) has the molecular formula C13H9N5O3S2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID21110249
Molecular FormulaC13H9N5O3S2
Molecular Weight347.38 g/mol
Exact Mass347.01
IUPAC Name6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3cc(-c4ccccc4)no3)nc2s1
InChIInChI=1S/C13H9N5O3S2/c14-23(19,20)13-16-18-7-10(15-12(18)22-13)11-6-9(17-21-11)8-4-2-1-3-5-8/h1-7H,(H2,14,19,20)
InChIKeyXWJCIFFMQLCENB-UHFFFAOYSA-N
XLogP1.76
TPSA116.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 21110249) is 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(-c3cc(-c4ccccc4)no3)nc2s1.
What is the InChIKey of 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is XWJCIFFMQLCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3S2/c14-23(19,20)13-16-18-7-10(15-12(18)22-13)11-6-9(17-21-11)8-4-2-1-3-5-8/h1-7H,(H2,14,19,20).
What are the key properties of 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 347.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 21110249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).