ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate

C7H8FNO2S2 — CID 79357531

IUPACethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)Sc1nccs1
InChIInChI=1S/C7H8FNO2S2/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3
InChIKeyASVQXRPFWMRILF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate

ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate (PubChem CID 79357531) has the molecular formula C7H8FNO2S2 and a molecular weight of 221.28 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate
PubChem CID79357531
Molecular FormulaC7H8FNO2S2
Molecular Weight221.28 g/mol
Exact Mass221.00
IUPAC Nameethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)Sc1nccs1
InChIInChI=1S/C7H8FNO2S2/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3
InChIKeyASVQXRPFWMRILF-UHFFFAOYSA-N
XLogP2.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate (CID 79357531) is ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate is CCOC(=O)C(F)Sc1nccs1.
What is the InChIKey of ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate?
The InChIKey is ASVQXRPFWMRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S2/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate?
ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate has a molecular weight of 221.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 79357531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).