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

C5H5FN2O3S2 — CID 170911990

IUPAC5-acetamido-1,3-thiazole-2-sulfonyl fluoride
SMILESCC(=O)Nc1cnc(S(=O)(=O)F)s1
InChIInChI=1S/C5H5FN2O3S2/c1-3(9)8-4-2-7-5(12-4)13(6,10)11/h2H,1H3,(H,8,9)
InChIKeyHLSNHPOLDYPDNS-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.76
Rot. Bonds2

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

5-acetamido-1,3-thiazole-2-sulfonyl fluoride (PubChem CID 170911990) has the molecular formula C5H5FN2O3S2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 5-acetamido-1,3-thiazole-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-acetamido-1,3-thiazole-2-sulfonyl fluoride
PubChem CID170911990
Molecular FormulaC5H5FN2O3S2
Molecular Weight224.24 g/mol
Exact Mass223.97
IUPAC Name5-acetamido-1,3-thiazole-2-sulfonyl fluoride
SMILESCC(=O)Nc1cnc(S(=O)(=O)F)s1
InChIInChI=1S/C5H5FN2O3S2/c1-3(9)8-4-2-7-5(12-4)13(6,10)11/h2H,1H3,(H,8,9)
InChIKeyHLSNHPOLDYPDNS-UHFFFAOYSA-N
XLogP0.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1,3-thiazole-2-sulfonyl fluoride?
The IUPAC name of 5-acetamido-1,3-thiazole-2-sulfonyl fluoride (CID 170911990) is 5-acetamido-1,3-thiazole-2-sulfonyl fluoride.
What is the SMILES notation for 5-acetamido-1,3-thiazole-2-sulfonyl fluoride?
The canonical SMILES for 5-acetamido-1,3-thiazole-2-sulfonyl fluoride is CC(=O)Nc1cnc(S(=O)(=O)F)s1.
What is the InChIKey of 5-acetamido-1,3-thiazole-2-sulfonyl fluoride?
The InChIKey is HLSNHPOLDYPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3S2/c1-3(9)8-4-2-7-5(12-4)13(6,10)11/h2H,1H3,(H,8,9).
What are the key properties of 5-acetamido-1,3-thiazole-2-sulfonyl fluoride?
5-acetamido-1,3-thiazole-2-sulfonyl fluoride has a molecular weight of 224.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1,3-thiazole-2-sulfonyl fluoride is sourced from PubChem (CID 170911990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).