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

C18H12Cl4N2O2S — CID 23800530

IUPAC2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C18H12Cl4N2O2S/c19-11-1-3-14(21)10(5-11)6-13-8-23-18(27-13)24-17(25)9-26-16-7-12(20)2-4-15(16)22/h1-5,7-8H,6,9H2,(H,23,24,25)
InChIKeyXRJRHBJZFNAPTG-UHFFFAOYSA-N
MW462.19 g/mol
LogP6.36
Rot. Bonds6

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

2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 23800530) has the molecular formula C18H12Cl4N2O2S and a molecular weight of 462.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID23800530
Molecular FormulaC18H12Cl4N2O2S
Molecular Weight462.19 g/mol
Exact Mass459.94
IUPAC Name2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C18H12Cl4N2O2S/c19-11-1-3-14(21)10(5-11)6-13-8-23-18(27-13)24-17(25)9-26-16-7-12(20)2-4-15(16)22/h1-5,7-8H,6,9H2,(H,23,24,25)
InChIKeyXRJRHBJZFNAPTG-UHFFFAOYSA-N
XLogP6.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.19
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
3-(4-chlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 4229329
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 112766840
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 5174214

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 23800530) is 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XRJRHBJZFNAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O2S/c19-11-1-3-14(21)10(5-11)6-13-8-23-18(27-13)24-17(25)9-26-16-7-12(20)2-4-15(16)22/h1-5,7-8H,6,9H2,(H,23,24,25).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 462.19 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23800530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).