[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate

C19H18FNO4S — CID 4263182

IUPAC[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
SMILESCOc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO4S/c1-23-16-7-6-13(18(26)21-8-10-24-11-9-21)12-17(16)25-19(22)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3
InChIKeyTWFVMCHEEFEZHJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.06
Rot. Bonds4

About [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate

[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate (PubChem CID 4263182) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
PubChem CID4263182
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
SMILESCOc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO4S/c1-23-16-7-6-13(18(26)21-8-10-24-11-9-21)12-17(16)25-19(22)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3
InChIKeyTWFVMCHEEFEZHJ-UHFFFAOYSA-N
XLogP3.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-bromo-4-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
CID 1021107
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
[4-bromo-2-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
CID 1330053
[2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate
CID 3112741
[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate
CID 1331771
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-fluorobenzoate
CID 2942074
(3,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 3706873
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
[2-methoxy-4-[(Z)-(2-morpholin-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 6251288
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate?
The IUPAC name of [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate (CID 4263182) is [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate.
What is the SMILES notation for [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate?
The canonical SMILES for [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate is COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccccc1F.
What is the InChIKey of [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate?
The InChIKey is TWFVMCHEEFEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-23-16-7-6-13(18(26)21-8-10-24-11-9-21)12-17(16)25-19(22)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3.
What are the key properties of [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate?
[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate has a molecular weight of 375.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate is sourced from PubChem (CID 4263182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).