N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide

C16H17ClN2O3S — CID 2122292

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-5-12(17)6-9(2)14(8)22-7-13(21)19-16-18-10(3)15(23-16)11(4)20/h5-6H,7H2,1-4H3,(H,18,19,21)
InChIKeyAUQAHPYVZWIXTQ-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.94
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide (PubChem CID 2122292) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide
PubChem CID2122292
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-5-12(17)6-9(2)14(8)22-7-13(21)19-16-18-10(3)15(23-16)11(4)20/h5-6H,7H2,1-4H3,(H,18,19,21)
InChIKeyAUQAHPYVZWIXTQ-UHFFFAOYSA-N
XLogP3.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.94
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-(4-chloro-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide (CID 2122292) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The InChIKey is AUQAHPYVZWIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-8-5-12(17)6-9(2)14(8)22-7-13(21)19-16-18-10(3)15(23-16)11(4)20/h5-6H,7H2,1-4H3,(H,18,19,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2,6-dimethylphenoxy)acetamide has a molecular weight of 352.84 g/mol, XLogP of 3.94, 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-(4-chloro-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 2122292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).