4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

C23H26N2O3S — CID 46008646

IUPAC4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2csc(COc3cc(C)cc(C)c3C)n2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-19(14-29-22)12-25(4)23(26)18-6-8-20(27-5)9-7-18/h6-11,14H,12-13H2,1-5H3
InChIKeyOPYITYWFHOVFGT-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.93
Rot. Bonds7

About 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46008646) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46008646
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2csc(COc3cc(C)cc(C)c3C)n2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-19(14-29-22)12-25(4)23(26)18-6-8-20(27-5)9-7-18/h6-11,14H,12-13H2,1-5H3
InChIKeyOPYITYWFHOVFGT-UHFFFAOYSA-N
XLogP4.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42837358
3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008550
N,3-dimethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]butanamide
CID 46008647
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165239
3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
N-(2-methoxyethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008528
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008214
2-methyl-N-(2-methylpropyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008524
N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008571
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42837405
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 46008646) is 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is COc1ccc(C(=O)N(C)Cc2csc(COc3cc(C)cc(C)c3C)n2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is OPYITYWFHOVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-19(14-29-22)12-25(4)23(26)18-6-8-20(27-5)9-7-18/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46008646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).