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

C14H12Cl2N2O3S — CID 5220580

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C14H12Cl2N2O3S/c1-7-13(8(2)19)22-14(17-7)18-12(20)6-21-11-4-3-9(15)5-10(11)16/h3-5H,6H2,1-2H3,(H,17,18,20)
InChIKeyZUWLDPJBSZWFOH-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.98
Rot. Bonds5

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 5220580) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID5220580
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C14H12Cl2N2O3S/c1-7-13(8(2)19)22-14(17-7)18-12(20)6-21-11-4-3-9(15)5-10(11)16/h3-5H,6H2,1-2H3,(H,17,18,20)
InChIKeyZUWLDPJBSZWFOH-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.98
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-phenoxyacetamide
CID 2122298
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 1637692
Ethyl 2-(2-(2,4-dichlorophenoxy)acetamido)thiazole-4-carboxylate
CID 2349759
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid (3-chloro-phenyl)-amide
CID 1468188
Ethyl 2-(((4-chlorophenoxy)acetyl)amino)-5-methyl-1,3-thiazole-4-carboxylate
CID 4109843
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide
CID 993137
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3707383
2-{[2-(3-chlorophenoxy)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4526952
2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 7948511
2-{[(4-chlorophenoxy)acetyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1011253
Ethyl 2-{[(4-chlorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1219698

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 5220580) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ZUWLDPJBSZWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-7-13(8(2)19)22-14(17-7)18-12(20)6-21-11-4-3-9(15)5-10(11)16/h3-5H,6H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 359.23 g/mol, XLogP of 3.98, 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-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 5220580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).