(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

C19H14ClNO3S — CID 9191780

IUPAC(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H14ClNO3S/c1-12(22)13-6-8-15(9-7-13)24-18(23)10-14-11-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,11H,10H2,1H3
InChIKeyWXKWAQIGALDIFQ-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.81
Rot. Bonds5

About (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 9191780) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID9191780
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H14ClNO3S/c1-12(22)13-6-8-15(9-7-13)24-18(23)10-14-11-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,11H,10H2,1H3
InChIKeyWXKWAQIGALDIFQ-UHFFFAOYSA-N
XLogP4.81
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8764004
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 134055357
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 9191780) is (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is CC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is WXKWAQIGALDIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-12(22)13-6-8-15(9-7-13)24-18(23)10-14-11-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,11H,10H2,1H3.
What are the key properties of (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 371.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9191780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).