N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide

C16H18N2O3S — CID 733441

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-9-5-6-13(7-10(9)2)21-8-14(20)18-16-17-11(3)15(22-16)12(4)19/h5-7H,8H2,1-4H3,(H,17,18,20)
InChIKeyNOCVROFZKWLYQK-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.29
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 733441) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID733441
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-9-5-6-13(7-10(9)2)21-8-14(20)18-16-17-11(3)15(22-16)12(4)19/h5-7H,8H2,1-4H3,(H,17,18,20)
InChIKeyNOCVROFZKWLYQK-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide (CID 733441) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(C)c(C)c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is NOCVROFZKWLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-9-5-6-13(7-10(9)2)21-8-14(20)18-16-17-11(3)15(22-16)12(4)19/h5-7H,8H2,1-4H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 733441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).