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

C15H15ClN2O3S — CID 3707383

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
InChIInChI=1S/C15H15ClN2O3S/c1-8-6-11(16)4-5-12(8)21-7-13(20)18-15-17-9(2)14(22-15)10(3)19/h4-6H,7H2,1-3H3,(H,17,18,20)
InChIKeyJUNVWGHSLSEQOU-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.63
Rot. Bonds5

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 3707383) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID3707383
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
InChIInChI=1S/C15H15ClN2O3S/c1-8-6-11(16)4-5-12(8)21-7-13(20)18-15-17-9(2)14(22-15)10(3)19/h4-6H,7H2,1-3H3,(H,17,18,20)
InChIKeyJUNVWGHSLSEQOU-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5220580
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 1637692
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 2122608
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4119913
2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4599824
Methyl 4-methyl-2-[2-(2-methylphenoxy)acetylamino]-1,3-thiazole-5-carboxylate
CID 3146505
Ethyl 2-(((4-chlorophenoxy)acetyl)amino)-5-methyl-1,3-thiazole-4-carboxylate
CID 4109843

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 3707383) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is JUNVWGHSLSEQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-8-6-11(16)4-5-12(8)21-7-13(20)18-15-17-9(2)14(22-15)10(3)19/h4-6H,7H2,1-3H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 338.82 g/mol, XLogP of 3.63, 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-methylphenoxy)acetamide is sourced from PubChem (CID 3707383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).