(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C19H16FNO3S — CID 8731702

IUPAC(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccccc2C(=O)OCc2ccccc2F)cs1
InChIInChI=1S/C19H16FNO3S/c1-13-21-15(12-25-13)11-23-18-9-5-3-7-16(18)19(22)24-10-14-6-2-4-8-17(14)20/h2-9,12H,10-11H2,1H3
InChIKeyHUTVENWCOHRMLQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.53
Rot. Bonds6

About (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 8731702) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID8731702
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccccc2C(=O)OCc2ccccc2F)cs1
InChIInChI=1S/C19H16FNO3S/c1-13-21-15(12-25-13)11-23-18-9-5-3-7-16(18)19(22)24-10-14-6-2-4-8-17(14)20/h2-9,12H,10-11H2,1H3
InChIKeyHUTVENWCOHRMLQ-UHFFFAOYSA-N
XLogP4.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]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 (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 8731702) is (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2ccccc2C(=O)OCc2ccccc2F)cs1.
What is the InChIKey of (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is HUTVENWCOHRMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-13-21-15(12-25-13)11-23-18-9-5-3-7-16(18)19(22)24-10-14-6-2-4-8-17(14)20/h2-9,12H,10-11H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
(2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 357.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 8731702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).