[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate

C19H15FN2O4S — CID 75524740

IUPAC[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate
SMILESCC(=O)Nc1cc(C(=O)Oc2ccccc2OCc2cscn2)ccc1F
InChIInChI=1S/C19H15FN2O4S/c1-12(23)22-16-8-13(6-7-15(16)20)19(24)26-18-5-3-2-4-17(18)25-9-14-10-27-11-21-14/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyINOHOAOPWSYTOY-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.04
Rot. Bonds6

About [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate

[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate (PubChem CID 75524740) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate
PubChem CID75524740
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate
SMILESCC(=O)Nc1cc(C(=O)Oc2ccccc2OCc2cscn2)ccc1F
InChIInChI=1S/C19H15FN2O4S/c1-12(23)22-16-8-13(6-7-15(16)20)19(24)26-18-5-3-2-4-17(18)25-9-14-10-27-11-21-14/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyINOHOAOPWSYTOY-UHFFFAOYSA-N
XLogP4.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,3,5-trimethylphenyl) 3-acetamido-4-fluorobenzoate
CID 60566761
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
1,3-thiazol-5-ylmethyl 3-acetamido-4-fluorobenzoate
CID 75518259
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide
CID 84589657
3-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 16769585
(2,3-dimethoxyphenyl)methyl 3-acetamido-4-fluorobenzoate
CID 47069815
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
CID 86883492
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
(2-acetamidophenyl) 3-chlorobenzoate
CID 23011243

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate?
The IUPAC name of [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate (CID 75524740) is [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate.
What is the SMILES notation for [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate?
The canonical SMILES for [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate is CC(=O)Nc1cc(C(=O)Oc2ccccc2OCc2cscn2)ccc1F.
What is the InChIKey of [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate?
The InChIKey is INOHOAOPWSYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-12(23)22-16-8-13(6-7-15(16)20)19(24)26-18-5-3-2-4-17(18)25-9-14-10-27-11-21-14/h2-8,10-11H,9H2,1H3,(H,22,23).
What are the key properties of [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate?
[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate has a molecular weight of 386.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate is sourced from PubChem (CID 75524740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).