2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid

C5H4FNO2S2 — CID 79356967

IUPAC2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1nccs1
InChIInChI=1S/C5H4FNO2S2/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9)
InChIKeyZZWVELSGLPYYNN-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.62
Rot. Bonds3

About 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid

2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid (PubChem CID 79356967) has the molecular formula C5H4FNO2S2 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid
PubChem CID79356967
Molecular FormulaC5H4FNO2S2
Molecular Weight193.22 g/mol
Exact Mass192.97
IUPAC Name2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1nccs1
InChIInChI=1S/C5H4FNO2S2/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9)
InChIKeyZZWVELSGLPYYNN-UHFFFAOYSA-N
XLogP1.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid (CID 79356967) is 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid is O=C(O)C(F)Sc1nccs1.
What is the InChIKey of 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid?
The InChIKey is ZZWVELSGLPYYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S2/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9).
What are the key properties of 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid?
2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid has a molecular weight of 193.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 79356967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).