N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide

C15H18N2O2S — CID 67511043

IUPACN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESCCN(Cc1cncs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-17(9-14-8-16-11-20-14)15(18)10-19-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyRIFFNNNDTCZCCK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds6

About N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide

N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide (PubChem CID 67511043) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide
PubChem CID67511043
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESCCN(Cc1cncs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-17(9-14-8-16-11-20-14)15(18)10-19-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyRIFFNNNDTCZCCK-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide (CID 67511043) is N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide is CCN(Cc1cncs1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide?
The InChIKey is RIFFNNNDTCZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-17(9-14-8-16-11-20-14)15(18)10-19-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide?
N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 67511043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).