3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride

C7H7FN2O2S2 — CID 165493314

IUPAC3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride
SMILESCCc1csc2ncc(S(=O)(=O)F)n12
InChIInChI=1S/C7H7FN2O2S2/c1-2-5-4-13-7-9-3-6(10(5)7)14(8,11)12/h3-4H,2H2,1H3
InChIKeyFQZQFKMTZOHXDX-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.62
Rot. Bonds2

About 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride

3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride (PubChem CID 165493314) has the molecular formula C7H7FN2O2S2 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride
PubChem CID165493314
Molecular FormulaC7H7FN2O2S2
Molecular Weight234.28 g/mol
Exact Mass233.99
IUPAC Name3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride
SMILESCCc1csc2ncc(S(=O)(=O)F)n12
InChIInChI=1S/C7H7FN2O2S2/c1-2-5-4-13-7-9-3-6(10(5)7)14(8,11)12/h3-4H,2H2,1H3
InChIKeyFQZQFKMTZOHXDX-UHFFFAOYSA-N
XLogP1.62
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride?
The IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride (CID 165493314) is 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride?
The canonical SMILES for 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride is CCc1csc2ncc(S(=O)(=O)F)n12.
What is the InChIKey of 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride?
The InChIKey is FQZQFKMTZOHXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S2/c1-2-5-4-13-7-9-3-6(10(5)7)14(8,11)12/h3-4H,2H2,1H3.
What are the key properties of 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride?
3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride has a molecular weight of 234.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 165493314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).