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

C16H17ClN2O3S — CID 19178514

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-5-12(6-9(2)14(8)17)22-7-13(21)19-16-18-10(3)15(23-16)11(4)20/h5-6H,7H2,1-4H3,(H,18,19,21)
InChIKeySJMPLOSYXVXEAP-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.94
Rot. Bonds5

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 19178514) 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-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID19178514
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-5-12(6-9(2)14(8)17)22-7-13(21)19-16-18-10(3)15(23-16)11(4)20/h5-6H,7H2,1-4H3,(H,18,19,21)
InChIKeySJMPLOSYXVXEAP-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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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 4801918
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19202937
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2163918
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 19178514) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is SJMPLOSYXVXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-8-5-12(6-9(2)14(8)17)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-3,5-dimethylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-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-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 19178514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).