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

C16H12N4O3S2 — CID 143559942

IUPAC6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(-c4ccc(O)cc4)cc3)nc2s1
InChIInChI=1S/C16H12N4O3S2/c17-25(22,23)16-19-20-9-14(18-15(20)24-16)12-3-1-10(2-4-12)11-5-7-13(21)8-6-11/h1-9,21H,(H2,17,22,23)
InChIKeyUMJHLBGZQUXZOY-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.48
Rot. Bonds3

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

6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 143559942) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID143559942
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC Name6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(-c4ccc(O)cc4)cc3)nc2s1
InChIInChI=1S/C16H12N4O3S2/c17-25(22,23)16-19-20-9-14(18-15(20)24-16)12-3-1-10(2-4-12)11-5-7-13(21)8-6-11/h1-9,21H,(H2,17,22,23)
InChIKeyUMJHLBGZQUXZOY-UHFFFAOYSA-N
XLogP2.48
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 143559942) is 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(-c3ccc(-c4ccc(O)cc4)cc3)nc2s1.
What is the InChIKey of 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is UMJHLBGZQUXZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c17-25(22,23)16-19-20-9-14(18-15(20)24-16)12-3-1-10(2-4-12)11-5-7-13(21)8-6-11/h1-9,21H,(H2,17,22,23).
What are the key properties of 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 372.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 143559942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).