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

C19H15ClFNO4S — CID 8982858

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate
SMILESO=C(COc1cccc(Cl)c1)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFNO4S/c20-13-2-1-3-17(8-13)25-11-19(23)26-9-15-12-27-18(22-15)10-24-16-6-4-14(21)5-7-16/h1-8,12H,9-11H2
InChIKeyVHHHFPFBCLYSAI-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.64
Rot. Bonds8

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

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate (PubChem CID 8982858) has the molecular formula C19H15ClFNO4S and a molecular weight of 407.85 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate
PubChem CID8982858
Molecular FormulaC19H15ClFNO4S
Molecular Weight407.85 g/mol
Exact Mass407.04
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate
SMILESO=C(COc1cccc(Cl)c1)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFNO4S/c20-13-2-1-3-17(8-13)25-11-19(23)26-9-15-12-27-18(22-15)10-24-16-6-4-14(21)5-7-16/h1-8,12H,9-11H2
InChIKeyVHHHFPFBCLYSAI-UHFFFAOYSA-N
XLogP4.64
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.64
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-(3-chlorophenoxy)acetate?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate (CID 8982858) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate is O=C(COc1cccc(Cl)c1)OCc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate?
The InChIKey is VHHHFPFBCLYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO4S/c20-13-2-1-3-17(8-13)25-11-19(23)26-9-15-12-27-18(22-15)10-24-16-6-4-14(21)5-7-16/h1-8,12H,9-11H2.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)acetate has a molecular weight of 407.85 g/mol, XLogP of 4.64, 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-(3-chlorophenoxy)acetate is sourced from PubChem (CID 8982858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).