[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate

C18H14FNO3S — CID 7789627

IUPAC[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCOc1cccc(-c2nc(COC(=O)c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H14FNO3S/c1-22-16-4-2-3-13(9-16)17-20-15(11-24-17)10-23-18(21)12-5-7-14(19)8-6-12/h2-9,11H,10H2,1H3
InChIKeyOVYDDTNNMOLZCX-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.31
Rot. Bonds5

About [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (PubChem CID 7789627) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
PubChem CID7789627
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCOc1cccc(-c2nc(COC(=O)c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H14FNO3S/c1-22-16-4-2-3-13(9-16)17-20-15(11-24-17)10-23-18(21)12-5-7-14(19)8-6-12/h2-9,11H,10H2,1H3
InChIKeyOVYDDTNNMOLZCX-UHFFFAOYSA-N
XLogP4.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate 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-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (CID 7789627) is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate is COc1cccc(-c2nc(COC(=O)c3ccc(F)cc3)cs2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The InChIKey is OVYDDTNNMOLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c1-22-16-4-2-3-13(9-16)17-20-15(11-24-17)10-23-18(21)12-5-7-14(19)8-6-12/h2-9,11H,10H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate has a molecular weight of 343.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate is sourced from PubChem (CID 7789627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).