methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate

C19H15NO4S — CID 7956863

IUPACmethyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15NO4S/c1-23-19(22)14-7-9-16(10-8-14)24-17(21)11-15-12-25-18(20-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyJBRLVEHLEMIRFX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.74
Rot. Bonds5

About methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate

methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate (PubChem CID 7956863) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
PubChem CID7956863
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Namemethyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15NO4S/c1-23-19(22)14-7-9-16(10-8-14)24-17(21)11-15-12-25-18(20-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyJBRLVEHLEMIRFX-UHFFFAOYSA-N
XLogP3.74
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8765857
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
CID 18273893
(4-ethylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 26881766
(4-acetylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8764004
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
methyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxy]benzoate
CID 9192156
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
[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 methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate?
The IUPAC name of methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate (CID 7956863) is methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate?
The canonical SMILES for methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate is COC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate?
The InChIKey is JBRLVEHLEMIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-23-19(22)14-7-9-16(10-8-14)24-17(21)11-15-12-25-18(20-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate?
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate has a molecular weight of 353.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate is sourced from PubChem (CID 7956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).