1,3-thiazole-5-sulfonyl fluoride

C3H2FNO2S2 — CID 87552466

IUPAC1,3-thiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1cncs1
InChIInChI=1S/C3H2FNO2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H
InChIKeyIOZLSTVWQLCRFA-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.80
Rot. Bonds1

About 1,3-thiazole-5-sulfonyl fluoride

1,3-thiazole-5-sulfonyl fluoride (PubChem CID 87552466) has the molecular formula C3H2FNO2S2 and a molecular weight of 167.19 g/mol. Its IUPAC name is 1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name1,3-thiazole-5-sulfonyl fluoride
PubChem CID87552466
Molecular FormulaC3H2FNO2S2
Molecular Weight167.19 g/mol
Exact Mass166.95
IUPAC Name1,3-thiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1cncs1
InChIInChI=1S/C3H2FNO2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H
InChIKeyIOZLSTVWQLCRFA-UHFFFAOYSA-N
XLogP0.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 1,3-thiazole-5-sulfonyl fluoride (CID 87552466) is 1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 1,3-thiazole-5-sulfonyl fluoride is O=S(=O)(F)c1cncs1.
What is the InChIKey of 1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is IOZLSTVWQLCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FNO2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H.
What are the key properties of 1,3-thiazole-5-sulfonyl fluoride?
1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 167.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 87552466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).