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

C18H12ClN3O2S — CID 2428133

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C18H12ClN3O2S/c19-15-4-2-1-3-14(15)16-11-25-18(21-16)22-17(23)10-24-13-7-5-12(9-20)6-8-13/h1-8,11H,10H2,(H,21,22,23)
InChIKeyPKPJGFKFEFCRQB-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.35
Rot. Bonds5

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide (PubChem CID 2428133) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
PubChem CID2428133
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C18H12ClN3O2S/c19-15-4-2-1-3-14(15)16-11-25-18(21-16)22-17(23)10-24-13-7-5-12(9-20)6-8-13/h1-8,11H,10H2,(H,21,22,23)
InChIKeyPKPJGFKFEFCRQB-UHFFFAOYSA-N
XLogP4.35
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.35
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-phenylphenoxy)acetamide
CID 19196755
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 8780817
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4799321
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 46628962
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide (CID 2428133) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is PKPJGFKFEFCRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-15-4-2-1-3-14(15)16-11-25-18(21-16)22-17(23)10-24-13-7-5-12(9-20)6-8-13/h1-8,11H,10H2,(H,21,22,23).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 369.83 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 2428133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).