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

C18H12N2O2S — CID 8765857

IUPAC(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESN#Cc1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12N2O2S/c19-11-13-6-8-16(9-7-13)22-17(21)10-15-12-23-18(20-15)14-4-2-1-3-5-14/h1-9,12H,10H2
InChIKeyZUHRBGLDIOVFCT-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.83
Rot. Bonds4

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

(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 8765857) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID8765857
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESN#Cc1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12N2O2S/c19-11-13-6-8-16(9-7-13)22-17(21)10-15-12-23-18(20-15)14-4-2-1-3-5-14/h1-9,12H,10H2
InChIKeyZUHRBGLDIOVFCT-UHFFFAOYSA-N
XLogP3.83
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.83
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-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
(4-cyanophenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774879
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
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
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
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-(4-cyanophenyl)phenyl] 3-phenylpropanoate
CID 3875588
(4-cyano-2-methoxyphenyl) 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16560789
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 8765857) is (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate is N#Cc1ccc(OC(=O)Cc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is ZUHRBGLDIOVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c19-11-13-6-8-16(9-7-13)22-17(21)10-15-12-23-18(20-15)14-4-2-1-3-5-14/h1-9,12H,10H2.
What are the key properties of (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 320.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8765857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).