[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

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Related Compounds

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708451
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(carbamoylamino)benzoate
CID 8804178
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7838007
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
CID 71904980
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-nitrobenzoate
CID 9390927
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526912
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 71902407
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-fluorobenzoate
CID 7758579
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824573

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).