N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide

C18H24N2O3S — CID 24714416

IUPACN-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1OCc1nc(CN(CC(C)C)C(C)=O)cs1
InChIInChI=1S/C18H24N2O3S/c1-13(2)9-20(14(3)21)10-15-12-24-18(19-15)11-23-17-8-6-5-7-16(17)22-4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyVLXGGTXPSKZBJZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.74
Rot. Bonds8

About N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide

N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide (PubChem CID 24714416) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
PubChem CID24714416
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1OCc1nc(CN(CC(C)C)C(C)=O)cs1
InChIInChI=1S/C18H24N2O3S/c1-13(2)9-20(14(3)21)10-15-12-24-18(19-15)11-23-17-8-6-5-7-16(17)22-4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyVLXGGTXPSKZBJZ-UHFFFAOYSA-N
XLogP3.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009379
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
1-(2-methylpropyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009747
N-[(2S)-butan-2-yl]-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165197
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
3-methoxy-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008060
3-bromo-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46009462
N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008044
N-[(2R)-butan-2-yl]-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 93165184
3-bromo-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008058
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008327

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide (CID 24714416) is N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide is COc1ccccc1OCc1nc(CN(CC(C)C)C(C)=O)cs1.
What is the InChIKey of N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is VLXGGTXPSKZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(2)9-20(14(3)21)10-15-12-24-18(19-15)11-23-17-8-6-5-7-16(17)22-4/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide?
N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24714416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).