ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate

C13H12FNO2S — CID 2995469

IUPACethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-2-17-12(16)7-9-8-18-13(15-9)10-5-3-4-6-11(10)14/h3-6,8H,2,7H2,1H3
InChIKeyKAMZBPFZUXGACP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 2995469) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID2995469
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Nameethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-2-17-12(16)7-9-8-18-13(15-9)10-5-3-4-6-11(10)14/h3-6,8H,2,7H2,1H3
InChIKeyKAMZBPFZUXGACP-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate (CID 2995469) is ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ccccc2F)n1.
What is the InChIKey of ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is KAMZBPFZUXGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-2-17-12(16)7-9-8-18-13(15-9)10-5-3-4-6-11(10)14/h3-6,8H,2,7H2,1H3.
What are the key properties of ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2995469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).