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

C16H15FN2O6S — CID 8509251

IUPAC[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2F)n1
InChIInChI=1S/C16H15FN2O6S/c1-23-10-3-4-11(12(17)6-10)15(22)25-7-13(20)19-16-18-9(8-26-16)5-14(21)24-2/h3-4,6,8H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyBKZVTTGFOJCDOL-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.80
Rot. Bonds7

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

[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate (PubChem CID 8509251) has the molecular formula C16H15FN2O6S and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
PubChem CID8509251
Molecular FormulaC16H15FN2O6S
Molecular Weight382.37 g/mol
Exact Mass382.06
IUPAC Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2F)n1
InChIInChI=1S/C16H15FN2O6S/c1-23-10-3-4-11(12(17)6-10)15(22)25-7-13(20)19-16-18-9(8-26-16)5-14(21)24-2/h3-4,6,8H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyBKZVTTGFOJCDOL-UHFFFAOYSA-N
XLogP1.80
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate (CID 8509251) is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate is COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2F)n1.
What is the InChIKey of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The InChIKey is BKZVTTGFOJCDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6S/c1-23-10-3-4-11(12(17)6-10)15(22)25-7-13(20)19-16-18-9(8-26-16)5-14(21)24-2/h3-4,6,8H,5,7H2,1-2H3,(H,18,19,20).
What are the key properties of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate has a molecular weight of 382.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8509251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).