ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H15FN2O4S — CID 17453674

IUPACethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O4S/c1-2-21-14(20)7-11-9-23-15(17-11)18-13(19)8-22-12-5-3-10(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyFUDYWDCMCQRPPG-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.41
Rot. Bonds7

About ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 17453674) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID17453674
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Nameethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O4S/c1-2-21-14(20)7-11-9-23-15(17-11)18-13(19)8-22-12-5-3-10(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyFUDYWDCMCQRPPG-UHFFFAOYSA-N
XLogP2.41
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 17453674) is ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FUDYWDCMCQRPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-2-21-14(20)7-11-9-23-15(17-11)18-13(19)8-22-12-5-3-10(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 17453674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).