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

C25H21FN2O2S — CID 1176056

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccccc1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H21FN2O2S/c26-21-13-11-20(12-14-21)23-18-31-25(27-23)28(16-15-19-7-3-1-4-8-19)24(29)17-30-22-9-5-2-6-10-22/h1-14,18H,15-17H2
InChIKeyAZTBFELYVFQZJU-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.60
Rot. Bonds8

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (PubChem CID 1176056) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
PubChem CID1176056
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccccc1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H21FN2O2S/c26-21-13-11-20(12-14-21)23-18-31-25(27-23)28(16-15-19-7-3-1-4-8-19)24(29)17-30-22-9-5-2-6-10-22/h1-14,18H,15-17H2
InChIKeyAZTBFELYVFQZJU-UHFFFAOYSA-N
XLogP5.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
4-(4-(3,4-Difluoro-2-methoxyphenyl)thiazol-2-yl)morpholine
CID 118310050
4-[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 118310056
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-acetamide
CID 656248
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2348603
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
CID 3170657
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (CID 1176056) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide is O=C(COc1ccccc1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The InChIKey is AZTBFELYVFQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c26-21-13-11-20(12-14-21)23-18-31-25(27-23)28(16-15-19-7-3-1-4-8-19)24(29)17-30-22-9-5-2-6-10-22/h1-14,18H,15-17H2.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 5.60, 8 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]-2-phenoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1176056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).