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

C14H16N2O2S — CID 2679352

IUPAC2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-9-4-5-12(6-10(9)2)18-7-13(17)16-14-15-11(3)8-19-14/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyQQSFSEBTGDMKEP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.09
Rot. Bonds4

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

2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2679352) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2679352
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-9-4-5-12(6-10(9)2)18-7-13(17)16-14-15-11(3)8-19-14/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyQQSFSEBTGDMKEP-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
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-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 2679352) is 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)COc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QQSFSEBTGDMKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-4-5-12(6-10(9)2)18-7-13(17)16-14-15-11(3)8-19-14/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2679352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).