[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate

C17H16F2N2O6S — CID 7609349

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C17H16F2N2O6S/c1-2-25-14(23)7-10-9-28-17(20-10)21-13(22)8-26-15(24)11-5-3-4-6-12(11)27-16(18)19/h3-6,9,16H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyVLAHPFLHVMFLAR-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.65
Rot. Bonds9

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

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 7609349) has the molecular formula C17H16F2N2O6S and a molecular weight of 414.39 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID7609349
Molecular FormulaC17H16F2N2O6S
Molecular Weight414.39 g/mol
Exact Mass414.07
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C17H16F2N2O6S/c1-2-25-14(23)7-10-9-28-17(20-10)21-13(22)8-26-15(24)11-5-3-4-6-12(11)27-16(18)19/h3-6,9,16H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyVLAHPFLHVMFLAR-UHFFFAOYSA-N
XLogP2.65
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 7609349) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate is CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is VLAHPFLHVMFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O6S/c1-2-25-14(23)7-10-9-28-17(20-10)21-13(22)8-26-15(24)11-5-3-4-6-12(11)27-16(18)19/h3-6,9,16H,2,7-8H2,1H3,(H,20,21,22).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 414.39 g/mol, XLogP of 2.65, 9 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] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 7609349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).