methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate

C19H14FNO5S — CID 118695599

IUPACmethyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)COc2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H14FNO5S/c1-24-19(23)16-11-27-18(21-16)17(22)10-25-13-6-8-15(9-7-13)26-14-4-2-12(20)3-5-14/h2-9,11H,10H2,1H3
InChIKeyAQTVGDGFCHSEGA-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.12
Rot. Bonds7

About methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate

methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate (PubChem CID 118695599) has the molecular formula C19H14FNO5S and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate
PubChem CID118695599
Molecular FormulaC19H14FNO5S
Molecular Weight387.39 g/mol
Exact Mass387.06
IUPAC Namemethyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)COc2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H14FNO5S/c1-24-19(23)16-11-27-18(21-16)17(22)10-25-13-6-8-15(9-7-13)26-14-4-2-12(20)3-5-14/h2-9,11H,10H2,1H3
InChIKeyAQTVGDGFCHSEGA-UHFFFAOYSA-N
XLogP4.12
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate (CID 118695599) is methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C(=O)COc2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate?
The InChIKey is AQTVGDGFCHSEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5S/c1-24-19(23)16-11-27-18(21-16)17(22)10-25-13-6-8-15(9-7-13)26-14-4-2-12(20)3-5-14/h2-9,11H,10H2,1H3.
What are the key properties of methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(4-fluorophenoxy)phenoxy]acetyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 118695599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).