[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

C19H16FNO4S — CID 55417640

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FNO4S/c20-14-6-8-17(9-7-14)23-11-18-21-15(13-26-18)10-25-19(22)12-24-16-4-2-1-3-5-16/h1-9,13H,10-12H2
InChIKeyMXVPYDSCBQZBBP-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.98
Rot. Bonds8

About [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate (PubChem CID 55417640) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
PubChem CID55417640
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FNO4S/c20-14-6-8-17(9-7-14)23-11-18-21-15(13-26-18)10-25-19(22)12-24-16-4-2-1-3-5-16/h1-9,13H,10-12H2
InChIKeyMXVPYDSCBQZBBP-UHFFFAOYSA-N
XLogP3.98
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate (CID 55417640) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The InChIKey is MXVPYDSCBQZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c20-14-6-8-17(9-7-14)23-11-18-21-15(13-26-18)10-25-19(22)12-24-16-4-2-1-3-5-16/h1-9,13H,10-12H2.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate has a molecular weight of 373.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-phenoxyacetate is sourced from PubChem (CID 55417640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).