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

C18H11Cl2N3O2S — CID 2473057

IUPAC2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H11Cl2N3O2S/c19-14-6-3-12(7-15(14)20)16-10-26-18(22-16)23-17(24)9-25-13-4-1-11(8-21)2-5-13/h1-7,10H,9H2,(H,22,23,24)
InChIKeyCMGGJFMMORXISH-UHFFFAOYSA-N
MW404.28 g/mol
LogP5.01
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2473057) has the molecular formula C18H11Cl2N3O2S and a molecular weight of 404.28 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2473057
Molecular FormulaC18H11Cl2N3O2S
Molecular Weight404.28 g/mol
Exact Mass402.99
IUPAC Name2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H11Cl2N3O2S/c19-14-6-3-12(7-15(14)20)16-10-26-18(22-16)23-17(24)9-25-13-4-1-11(8-21)2-5-13/h1-7,10H,9H2,(H,22,23,24)
InChIKeyCMGGJFMMORXISH-UHFFFAOYSA-N
XLogP5.01
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 8780817
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4799321
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 2473057) is 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CMGGJFMMORXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2S/c19-14-6-3-12(7-15(14)20)16-10-26-18(22-16)23-17(24)9-25-13-4-1-11(8-21)2-5-13/h1-7,10H,9H2,(H,22,23,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 404.28 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2473057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).