2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H22N2O3S — CID 50746403

IUPAC2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(COc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C17H22N2O3S/c1-11-5-6-14(9-12(11)2)22-10-15-19-13(3)16(23-15)17(20)18-7-8-21-4/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyPJVYLRCYQJQFFT-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.02
Rot. Bonds7

About 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50746403) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50746403
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(COc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C17H22N2O3S/c1-11-5-6-14(9-12(11)2)22-10-15-19-13(3)16(23-15)17(20)18-7-8-21-4/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyPJVYLRCYQJQFFT-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 50746443
2-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46741158
2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-[(1S)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97047072
2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 119046733
2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9155066
1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82440517
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 46741139
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 50746403) is 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(COc2ccc(C)c(C)c2)nc1C.
What is the InChIKey of 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PJVYLRCYQJQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-5-6-14(9-12(11)2)22-10-15-19-13(3)16(23-15)17(20)18-7-8-21-4/h5-6,9H,7-8,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50746403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).