6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C10H8N4O4S2 — CID 10308514

IUPAC6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(O)c(O)c3)nc2s1
InChIInChI=1S/C10H8N4O4S2/c11-20(17,18)10-13-14-4-6(12-9(14)19-10)5-1-2-7(15)8(16)3-5/h1-4,15-16H,(H2,11,17,18)
InChIKeyNNZSQZYREDFSPA-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.52
Rot. Bonds2

About 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 10308514) has the molecular formula C10H8N4O4S2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID10308514
Molecular FormulaC10H8N4O4S2
Molecular Weight312.33 g/mol
Exact Mass312.00
IUPAC Name6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(O)c(O)c3)nc2s1
InChIInChI=1S/C10H8N4O4S2/c11-20(17,18)10-13-14-4-6(12-9(14)19-10)5-1-2-7(15)8(16)3-5/h1-4,15-16H,(H2,11,17,18)
InChIKeyNNZSQZYREDFSPA-UHFFFAOYSA-N
XLogP0.52
TPSA130.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 10308514) is 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(-c3ccc(O)c(O)c3)nc2s1.
What is the InChIKey of 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is NNZSQZYREDFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S2/c11-20(17,18)10-13-14-4-6(12-9(14)19-10)5-1-2-7(15)8(16)3-5/h1-4,15-16H,(H2,11,17,18).
What are the key properties of 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 312.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 10308514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).