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

C23H26N2O3S — CID 42837358

IUPAC2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(C)Cc1csc(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-18(14-29-22)12-25(4)23(26)19-8-6-7-9-20(19)27-5/h6-11,14H,12-13H2,1-5H3
InChIKeyWMNKEKNSECKTHW-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.93
Rot. Bonds7

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

2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 42837358) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID42837358
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(C)Cc1csc(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-18(14-29-22)12-25(4)23(26)19-8-6-7-9-20(19)27-5/h6-11,14H,12-13H2,1-5H3
InChIKeyWMNKEKNSECKTHW-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

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008646
2-methyl-N-(2-methylpropyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008524
N,3-dimethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]butanamide
CID 46008647
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543
3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008550
3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008571
N-(2-methoxyethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008528
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 42837358) is 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is COc1ccccc1C(=O)N(C)Cc1csc(COc2cc(C)cc(C)c2C)n1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is WMNKEKNSECKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-15-10-16(2)17(3)21(11-15)28-13-22-24-18(14-29-22)12-25(4)23(26)19-8-6-7-9-20(19)27-5/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
2-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 2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 42837358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).