[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate

C18H12ClFN2O3S — CID 2341009

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12ClFN2O3S/c19-14-8-12(20)6-7-13(14)17(24)25-9-16(23)22-18-21-15(10-26-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22,23)
InChIKeyPLUXZFAPFUTKLX-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.40
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2341009) has the molecular formula C18H12ClFN2O3S and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate
PubChem CID2341009
Molecular FormulaC18H12ClFN2O3S
Molecular Weight390.82 g/mol
Exact Mass390.02
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12ClFN2O3S/c19-14-8-12(20)6-7-13(14)17(24)25-9-16(23)22-18-21-15(10-26-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22,23)
InChIKeyPLUXZFAPFUTKLX-UHFFFAOYSA-N
XLogP4.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate (CID 2341009) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is PLUXZFAPFUTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O3S/c19-14-8-12(20)6-7-13(14)17(24)25-9-16(23)22-18-21-15(10-26-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22,23).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 390.82 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2341009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).