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

C4H4FNO3S2 — CID 122235983

IUPAC2-methoxy-1,3-thiazole-5-sulfonyl fluoride
SMILESCOc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C4H4FNO3S2/c1-9-4-6-2-3(10-4)11(5,7)8/h2H,1H3
InChIKeySHCGQBFHBGEDAA-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.81
Rot. Bonds2

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

2-methoxy-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 122235983) has the molecular formula C4H4FNO3S2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-methoxy-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-methoxy-1,3-thiazole-5-sulfonyl fluoride
PubChem CID122235983
Molecular FormulaC4H4FNO3S2
Molecular Weight197.21 g/mol
Exact Mass196.96
IUPAC Name2-methoxy-1,3-thiazole-5-sulfonyl fluoride
SMILESCOc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C4H4FNO3S2/c1-9-4-6-2-3(10-4)11(5,7)8/h2H,1H3
InChIKeySHCGQBFHBGEDAA-UHFFFAOYSA-N
XLogP0.81
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1,3-thiazole-5-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-methoxy-1,3-thiazole-5-sulfonyl fluoride (CID 122235983) is 2-methoxy-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-methoxy-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-methoxy-1,3-thiazole-5-sulfonyl fluoride is COc1ncc(S(=O)(=O)F)s1.
What is the InChIKey of 2-methoxy-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is SHCGQBFHBGEDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO3S2/c1-9-4-6-2-3(10-4)11(5,7)8/h2H,1H3.
What are the key properties of 2-methoxy-1,3-thiazole-5-sulfonyl fluoride?
2-methoxy-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 197.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 122235983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).