2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide

C25H21FN2O2S — CID 121148642

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1
InChIInChI=1S/C25H21FN2O2S/c1-16-11-12-17(2)23(13-16)30-14-24(29)27-21-10-6-4-8-19(21)22-15-31-25(28-22)18-7-3-5-9-20(18)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyULKSLEUEPLIMKX-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.25
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 121148642) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID121148642
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1
InChIInChI=1S/C25H21FN2O2S/c1-16-11-12-17(2)23(13-16)30-14-24(29)27-21-10-6-4-8-19(21)22-15-31-25(28-22)18-7-3-5-9-20(18)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyULKSLEUEPLIMKX-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 90626352
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626166
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 121148552
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 121148642) is 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ULKSLEUEPLIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-16-11-12-17(2)23(13-16)30-14-24(29)27-21-10-6-4-8-19(21)22-15-31-25(28-22)18-7-3-5-9-20(18)26/h3-13,15H,14H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 121148642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).