6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid

C6H3F3N2O3S2 — CID 14422472

IUPAC6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid
SMILESO=S(=O)(O)c1c(C(F)(F)F)nc2sccn12
InChIInChI=1S/C6H3F3N2O3S2/c7-6(8,9)3-4(16(12,13)14)11-1-2-15-5(11)10-3/h1-2H,(H,12,13,14)
InChIKeyCBSWMJWTJVFFDG-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.66
Rot. Bonds1

About 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid

6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid (PubChem CID 14422472) has the molecular formula C6H3F3N2O3S2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid
PubChem CID14422472
Molecular FormulaC6H3F3N2O3S2
Molecular Weight272.23 g/mol
Exact Mass271.95
IUPAC Name6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid
SMILESO=S(=O)(O)c1c(C(F)(F)F)nc2sccn12
InChIInChI=1S/C6H3F3N2O3S2/c7-6(8,9)3-4(16(12,13)14)11-1-2-15-5(11)10-3/h1-2H,(H,12,13,14)
InChIKeyCBSWMJWTJVFFDG-UHFFFAOYSA-N
XLogP1.66
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The IUPAC name of 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid (CID 14422472) is 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid.
What is the SMILES notation for 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The canonical SMILES for 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid is O=S(=O)(O)c1c(C(F)(F)F)nc2sccn12.
What is the InChIKey of 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The InChIKey is CBSWMJWTJVFFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3S2/c7-6(8,9)3-4(16(12,13)14)11-1-2-15-5(11)10-3/h1-2H,(H,12,13,14).
What are the key properties of 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid has a molecular weight of 272.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid is sourced from PubChem (CID 14422472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).