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

C12H12N4O4S2 — CID 10236847

IUPAC6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCOc1ccc(OC)c(-c2cn3nc(S(N)(=O)=O)sc3n2)c1
InChIInChI=1S/C12H12N4O4S2/c1-19-7-3-4-10(20-2)8(5-7)9-6-16-11(14-9)21-12(15-16)22(13,17)18/h3-6H,1-2H3,(H2,13,17,18)
InChIKeyNYDFXBHPPUTDLT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.12
Rot. Bonds4

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

6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 10236847) has the molecular formula C12H12N4O4S2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID10236847
Molecular FormulaC12H12N4O4S2
Molecular Weight340.39 g/mol
Exact Mass340.03
IUPAC Name6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCOc1ccc(OC)c(-c2cn3nc(S(N)(=O)=O)sc3n2)c1
InChIInChI=1S/C12H12N4O4S2/c1-19-7-3-4-10(20-2)8(5-7)9-6-16-11(14-9)21-12(15-16)22(13,17)18/h3-6H,1-2H3,(H2,13,17,18)
InChIKeyNYDFXBHPPUTDLT-UHFFFAOYSA-N
XLogP1.12
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 10236847) is 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is COc1ccc(OC)c(-c2cn3nc(S(N)(=O)=O)sc3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is NYDFXBHPPUTDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S2/c1-19-7-3-4-10(20-2)8(5-7)9-6-16-11(14-9)21-12(15-16)22(13,17)18/h3-6H,1-2H3,(H2,13,17,18).
What are the key properties of 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 340.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 10236847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).