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

C15H18N2O2S — CID 24712813

IUPAC2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2cccc(C)c2C)n1
InChIInChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyYWLWXEVHYHANOR-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.09
Rot. Bonds5

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

2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 24712813) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID24712813
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2cccc(C)c2C)n1
InChIInChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyYWLWXEVHYHANOR-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 24712813) is 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(COc2cccc(C)c2C)n1.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is YWLWXEVHYHANOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-16-15(18)12-9-20-14(17-12)8-19-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[(2,3-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-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).