N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide

C20H18Cl2N2O2S — CID 18836170

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c(C)c1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-6-18(13(2)7-12)26-11-19(25)24-20-23-10-16(27-20)8-14-4-5-15(21)9-17(14)22/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25)
InChIKeyXRQKLEXZOSVYLJ-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.68
Rot. Bonds6

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 18836170) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID18836170
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c(C)c1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-6-18(13(2)7-12)26-11-19(25)24-20-23-10-16(27-20)8-14-4-5-15(21)9-17(14)22/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25)
InChIKeyXRQKLEXZOSVYLJ-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 18836200
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 24628804
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide (CID 18836170) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is XRQKLEXZOSVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c1-12-3-6-18(13(2)7-12)26-11-19(25)24-20-23-10-16(27-20)8-14-4-5-15(21)9-17(14)22/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 421.35 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 18836170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).