2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

C25H30N2O4S — CID 46008079

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1OC
InChIInChI=1S/C25H30N2O4S/c1-18(2)20-9-5-8-12-23(20)31-16-24-26-19(17-32-24)15-27(13-14-29-3)25(28)21-10-6-7-11-22(21)30-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyGKJONHXYWRNIBN-UHFFFAOYSA-N
MW454.59 g/mol
LogP5.14
Rot. Bonds11

About 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46008079) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46008079
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1OC
InChIInChI=1S/C25H30N2O4S/c1-18(2)20-9-5-8-12-23(20)31-16-24-26-19(17-32-24)15-27(13-14-29-3)25(28)21-10-6-7-11-22(21)30-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyGKJONHXYWRNIBN-UHFFFAOYSA-N
XLogP5.14
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008063
3-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008078
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
3-methoxy-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008060
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008111
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008044
1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009751
3-bromo-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008058
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 46008079) is 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is COCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is GKJONHXYWRNIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-18(2)20-9-5-8-12-23(20)31-16-24-26-19(17-32-24)15-27(13-14-29-3)25(28)21-10-6-7-11-22(21)30-4/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 454.59 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46008079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).