2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C13H12Cl2N2O2S — CID 47290674

IUPAC2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-17-10(7-20-8)5-16-13(18)6-19-12-3-2-9(14)4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyAXWRUDNCDVCQKE-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.45
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 47290674) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID47290674
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-17-10(7-20-8)5-16-13(18)6-19-12-3-2-9(14)4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyAXWRUDNCDVCQKE-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9060397
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]acetamide
CID 91966973
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 54773872
2-(2,4-dichlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 30608039
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71808607
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
2-(2,4-dichlorophenoxy)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569546

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 47290674) is 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is AXWRUDNCDVCQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-17-10(7-20-8)5-16-13(18)6-19-12-3-2-9(14)4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 331.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 47290674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).