2-ethyl-1,3-thiazole-5-sulfonyl fluoride

C5H6FNO2S2 — CID 165453496

IUPAC2-ethyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCCc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C5H6FNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3
InChIKeyLXCGAWZBILTCMA-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.36
Rot. Bonds2

About 2-ethyl-1,3-thiazole-5-sulfonyl fluoride

2-ethyl-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 165453496) has the molecular formula C5H6FNO2S2 and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-5-sulfonyl fluoride
PubChem CID165453496
Molecular FormulaC5H6FNO2S2
Molecular Weight195.24 g/mol
Exact Mass194.98
IUPAC Name2-ethyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCCc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C5H6FNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3
InChIKeyLXCGAWZBILTCMA-UHFFFAOYSA-N
XLogP1.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonyl fluoride (CID 165453496) is 2-ethyl-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-ethyl-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-ethyl-1,3-thiazole-5-sulfonyl fluoride is CCc1ncc(S(=O)(=O)F)s1.
What is the InChIKey of 2-ethyl-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is LXCGAWZBILTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-thiazole-5-sulfonyl fluoride?
2-ethyl-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 195.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 165453496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).