[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C17H17FN2O6S — CID 8702554

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C17H17FN2O6S/c1-3-25-15(22)7-11-9-27-17(19-11)20-14(21)8-26-16(23)10-4-5-13(24-2)12(18)6-10/h4-6,9H,3,7-8H2,1-2H3,(H,19,20,21)
InChIKeyCJLJLAKUDUUKBH-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.19
Rot. Bonds8

About [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 8702554) has the molecular formula C17H17FN2O6S and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID8702554
Molecular FormulaC17H17FN2O6S
Molecular Weight396.40 g/mol
Exact Mass396.08
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C17H17FN2O6S/c1-3-25-15(22)7-11-9-27-17(19-11)20-14(21)8-26-16(23)10-4-5-13(24-2)12(18)6-10/h4-6,9H,3,7-8H2,1-2H3,(H,19,20,21)
InChIKeyCJLJLAKUDUUKBH-UHFFFAOYSA-N
XLogP2.19
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 8702554) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is CJLJLAKUDUUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O6S/c1-3-25-15(22)7-11-9-27-17(19-11)20-14(21)8-26-16(23)10-4-5-13(24-2)12(18)6-10/h4-6,9H,3,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 396.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8702554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).