N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide

C19H26N2O3S — CID 46150389

IUPACN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(C)=O
InChIInChI=1S/C19H26N2O3S/c1-14-7-5-8-18(15(14)2)24-12-19-20-17(13-25-19)11-21(16(3)22)9-6-10-23-4/h5,7-8,13H,6,9-12H2,1-4H3
InChIKeyNOHQPIKPJNGKPU-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.72
Rot. Bonds9

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

N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide (PubChem CID 46150389) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide
PubChem CID46150389
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(C)=O
InChIInChI=1S/C19H26N2O3S/c1-14-7-5-8-18(15(14)2)24-12-19-20-17(13-25-19)11-21(16(3)22)9-6-10-23-4/h5,7-8,13H,6,9-12H2,1-4H3
InChIKeyNOHQPIKPJNGKPU-UHFFFAOYSA-N
XLogP3.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.72
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-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46009109
N-[2-(dimethylamino)ethyl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 42837446
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
CID 46009131
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42837395
N-(3-methoxypropyl)-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 42837496
N-[3-(dimethylamino)propyl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluorobenzamide
CID 42682512
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopentanecarboxamide
CID 46009128
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 42682488
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-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide (CID 46150389) is N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide is COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(C)=O.
What is the InChIKey of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is NOHQPIKPJNGKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-7-5-8-18(15(14)2)24-12-19-20-17(13-25-19)11-21(16(3)22)9-6-10-23-4/h5,7-8,13H,6,9-12H2,1-4H3.
What are the key properties of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide?
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46150389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).