2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide

C19H17FN2O3S — CID 17457916

IUPAC2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-4-14(5-9-16)21-18(23)10-15-12-26-19(22-15)11-25-17-6-2-13(20)3-7-17/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyUNOYFDDJNDOPLC-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide

2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 17457916) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID17457916
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-4-14(5-9-16)21-18(23)10-15-12-26-19(22-15)11-25-17-6-2-13(20)3-7-17/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyUNOYFDDJNDOPLC-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide (CID 17457916) is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UNOYFDDJNDOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-16-8-4-14(5-9-16)21-18(23)10-15-12-26-19(22-15)11-25-17-6-2-13(20)3-7-17/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17457916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).