2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide

C23H26N2O2S — CID 46009300

IUPAC2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(OCc2nc(CN(C(=O)c3ccccc3C)C(C)C)cs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-16(2)25(23(26)21-8-6-5-7-18(21)4)13-19-15-28-22(24-19)14-27-20-11-9-17(3)10-12-20/h5-12,15-16H,13-14H2,1-4H3
InChIKeyGLSGBYWJOGDFPE-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.39
Rot. Bonds7

About 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide

2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 46009300) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID46009300
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(OCc2nc(CN(C(=O)c3ccccc3C)C(C)C)cs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-16(2)25(23(26)21-8-6-5-7-18(21)4)13-19-15-28-22(24-19)14-27-20-11-9-17(3)10-12-20/h5-12,15-16H,13-14H2,1-4H3
InChIKeyGLSGBYWJOGDFPE-UHFFFAOYSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
CID 46008365
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009294
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
2-fluoro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 42682438
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
4-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008746
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008357
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008111
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide (CID 46009300) is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide is Cc1ccc(OCc2nc(CN(C(=O)c3ccccc3C)C(C)C)cs2)cc1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is GLSGBYWJOGDFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-16(2)25(23(26)21-8-6-5-7-18(21)4)13-19-15-28-22(24-19)14-27-20-11-9-17(3)10-12-20/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide?
2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46009300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).