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

C20H16Cl2N2O2S — CID 1407098

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H16Cl2N2O2S/c1-2-5-13-6-3-4-7-18(13)26-11-19(25)24-20-23-17(12-27-20)15-9-8-14(21)10-16(15)22/h2-4,6-10,12H,1,5,11H2,(H,23,24,25)
InChIKeyHKAOLAJEGBKAAQ-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.86
Rot. Bonds7

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

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 1407098) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID1407098
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H16Cl2N2O2S/c1-2-5-13-6-3-4-7-18(13)26-11-19(25)24-20-23-17(12-27-20)15-9-8-14(21)10-16(15)22/h2-4,6-10,12H,1,5,11H2,(H,23,24,25)
InChIKeyHKAOLAJEGBKAAQ-UHFFFAOYSA-N
XLogP5.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1407102
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide (CID 1407098) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is HKAOLAJEGBKAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c1-2-5-13-6-3-4-7-18(13)26-11-19(25)24-20-23-17(12-27-20)15-9-8-14(21)10-16(15)22/h2-4,6-10,12H,1,5,11H2,(H,23,24,25).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 419.33 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 1407098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).