ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate

C13H13NO2S — CID 2797666

IUPACethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyJXKUWLHMTFDRRS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate

ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 2797666) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID2797666
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Nameethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyJXKUWLHMTFDRRS-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 2797666) is ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is JXKUWLHMTFDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 247.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 2797666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).