N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide

C18H15FN2O2S — CID 855589

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2O2S/c1-21(17(22)11-23-15-5-3-2-4-6-15)18-20-16(12-24-18)13-7-9-14(19)10-8-13/h2-10,12H,11H2,1H3
InChIKeyYBUAKAAQCKHLBI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide (PubChem CID 855589) 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]-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide
PubChem CID855589
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2O2S/c1-21(17(22)11-23-15-5-3-2-4-6-15)18-20-16(12-24-18)13-7-9-14(19)10-8-13/h2-10,12H,11H2,1H3
InChIKeyYBUAKAAQCKHLBI-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
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]-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide (CID 855589) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide is CN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide?
The InChIKey is YBUAKAAQCKHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-21(17(22)11-23-15-5-3-2-4-6-15)18-20-16(12-24-18)13-7-9-14(19)10-8-13/h2-10,12H,11H2,1H3.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenoxyacetamide has a molecular weight of 342.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 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]-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 855589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).