(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate

C17H12ClNO2S — CID 8764496

IUPAC(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccc2)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO2S/c18-13-6-8-15(9-7-13)21-16(20)10-14-11-22-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyRSSRRUMSRKNOSV-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.61
Rot. Bonds4

About (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate

(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 8764496) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID8764496
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccc2)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO2S/c18-13-6-8-15(9-7-13)21-16(20)10-14-11-22-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyRSSRRUMSRKNOSV-UHFFFAOYSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8765857
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
(3,5-dimethylphenyl) 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18207023
(2,6-dimethylphenyl) 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18291326
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
(2,4-dichlorophenyl) 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 16561708
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780
N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 16557201

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 8764496) is (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2ccccc2)n1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is RSSRRUMSRKNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-13-6-8-15(9-7-13)21-16(20)10-14-11-22-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 329.81 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8764496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).