2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

C12H12N2O2S — CID 677118

IUPAC2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-9-4-2-3-5-10(9)16-8-11(15)14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyWEFSOMPWRRAXJN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 677118) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID677118
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-9-4-2-3-5-10(9)16-8-11(15)14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyWEFSOMPWRRAXJN-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 677118) is 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is Cc1ccccc1OCC(=O)Nc1nccs1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WEFSOMPWRRAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-4-2-3-5-10(9)16-8-11(15)14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 677118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).