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

C18H15FN2O2S — CID 2090704

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H15FN2O2S/c1-23-15-4-2-3-12(9-15)10-17(22)21-18-20-16(11-24-18)13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyMZLXSDFGFYAFRS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.14
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 2090704) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID2090704
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H15FN2O2S/c1-23-15-4-2-3-12(9-15)10-17(22)21-18-20-16(11-24-18)13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyMZLXSDFGFYAFRS-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (CID 2090704) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is MZLXSDFGFYAFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-23-15-4-2-3-12(9-15)10-17(22)21-18-20-16(11-24-18)13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2090704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).