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

C20H18Cl2N2O2S — CID 18836200

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-4-13(2)18(7-12)26-11-19(25)24-20-23-10-15(27-20)8-14-5-6-16(21)17(22)9-14/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25)
InChIKeyDASNJWRLCFGXCI-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.68
Rot. Bonds6

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

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 18836200) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID18836200
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-4-13(2)18(7-12)26-11-19(25)24-20-23-10-15(27-20)8-14-5-6-16(21)17(22)9-14/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25)
InChIKeyDASNJWRLCFGXCI-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

2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55538156
2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535982
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587828
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide (CID 18836200) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is DASNJWRLCFGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c1-12-3-4-13(2)18(7-12)26-11-19(25)24-20-23-10-15(27-20)8-14-5-6-16(21)17(22)9-14/h3-7,9-10H,8,11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-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-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 18836200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).