2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide

C20H18Cl2N2O2S2 — CID 16900220

IUPAC2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c1-2-26-17-7-5-15(6-8-17)23-19(25)10-16-12-28-20(24-16)27-11-13-3-4-14(21)9-18(13)22/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyJQUTZBUMESVRMI-UHFFFAOYSA-N
MW453.42 g/mol
LogP6.32
Rot. Bonds8

About 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 16900220) has the molecular formula C20H18Cl2N2O2S2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID16900220
Molecular FormulaC20H18Cl2N2O2S2
Molecular Weight453.42 g/mol
Exact Mass452.02
IUPAC Name2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c1-2-26-17-7-5-15(6-8-17)23-19(25)10-16-12-28-20(24-16)27-11-13-3-4-14(21)9-18(13)22/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyJQUTZBUMESVRMI-UHFFFAOYSA-N
XLogP6.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16900183
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 16900185
N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900041
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900186
2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 16900699
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900243
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208
N-(3-chloro-4-fluorophenyl)-2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899743
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 16899303
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899068

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 16900220) is 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is JQUTZBUMESVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S2/c1-2-26-17-7-5-15(6-8-17)23-19(25)10-16-12-28-20(24-16)27-11-13-3-4-14(21)9-18(13)22/h3-9,12H,2,10-11H2,1H3,(H,23,25).
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 453.42 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 16900220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).