[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

C20H14FN3O3S — CID 9452081

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O3S/c21-14-7-5-13(6-8-14)19-23-15(11-28-19)10-27-18(25)9-24-12-22-17-4-2-1-3-16(17)20(24)26/h1-8,11-12H,9-10H2
InChIKeyOLGYILLUQWMCAQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.40
Rot. Bonds5

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 9452081) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID9452081
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O3S/c21-14-7-5-13(6-8-14)19-23-15(11-28-19)10-27-18(25)9-24-12-22-17-4-2-1-3-16(17)20(24)26/h1-8,11-12H,9-10H2
InChIKeyOLGYILLUQWMCAQ-UHFFFAOYSA-N
XLogP3.40
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 9452081) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is OLGYILLUQWMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-14-7-5-13(6-8-14)19-23-15(11-28-19)10-27-18(25)9-24-12-22-17-4-2-1-3-16(17)20(24)26/h1-8,11-12H,9-10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 395.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 9452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).