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

C15H18N2O2S — CID 24712417

IUPAC2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-6-5-10(2)7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyYYTIFOAQDORLSA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.09
Rot. Bonds5

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

2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 24712417) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID24712417
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-6-5-10(2)7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyYYTIFOAQDORLSA-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754897
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17522609
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
3-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42682542

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 24712417) is 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(COc2ccc(C)cc2C)n1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is YYTIFOAQDORLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-6-5-10(2)7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).