methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate

C18H16FNO3S — CID 86264776

IUPACmethyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCSC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H16FNO3S/c1-23-18(22)13-7-5-12(6-8-13)16(21)20-9-10-24-17(20)14-3-2-4-15(19)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyPSAOTBJIMRVLQX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.50
Rot. Bonds3

About methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate

methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate (PubChem CID 86264776) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate
PubChem CID86264776
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Namemethyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCSC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H16FNO3S/c1-23-18(22)13-7-5-12(6-8-13)16(21)20-9-10-24-17(20)14-3-2-4-15(19)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyPSAOTBJIMRVLQX-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate 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 methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate?
The IUPAC name of methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate (CID 86264776) is methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate?
The canonical SMILES for methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCSC2c2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate?
The InChIKey is PSAOTBJIMRVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-23-18(22)13-7-5-12(6-8-13)16(21)20-9-10-24-17(20)14-3-2-4-15(19)11-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate?
methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate has a molecular weight of 345.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]benzoate is sourced from PubChem (CID 86264776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).