N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide

C18H24N2O3S — CID 24714209

IUPACN-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCCOC)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C18H24N2O3S/c1-3-18(21)20(10-7-11-22-2)12-15-14-24-17(19-15)13-23-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13H2,1-2H3
InChIKeyWFNUNBMHZFUJLK-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.50
Rot. Bonds10

About N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide

N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 24714209) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID24714209
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCCOC)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C18H24N2O3S/c1-3-18(21)20(10-7-11-22-2)12-15-14-24-17(19-15)13-23-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13H2,1-2H3
InChIKeyWFNUNBMHZFUJLK-UHFFFAOYSA-N
XLogP3.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009187
3-bromo-N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009243
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylbenzamide
CID 42682532
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46008982
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 42682488
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 24714868
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413
3-tert-butyl-1-(3-methoxypropyl)-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009673

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 24714209) is N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)N(CCCOC)Cc1csc(COc2ccccc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is WFNUNBMHZFUJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-18(21)20(10-7-11-22-2)12-15-14-24-17(19-15)13-23-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide?
N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 348.47 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 24714209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).