[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

C23H16ClFN2O2S — CID 60615686

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H16ClFN2O2S/c24-19-9-2-1-8-18(19)23-27-17(14-30-23)13-21(28)29-22(20-10-3-4-11-26-20)15-6-5-7-16(25)12-15/h1-12,14,22H,13H2
InChIKeyWCHDEXUOWXONOO-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.87
Rot. Bonds6

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 60615686) has the molecular formula C23H16ClFN2O2S and a molecular weight of 438.91 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID60615686
Molecular FormulaC23H16ClFN2O2S
Molecular Weight438.91 g/mol
Exact Mass438.06
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H16ClFN2O2S/c24-19-9-2-1-8-18(19)23-27-17(14-30-23)13-21(28)29-22(20-10-3-4-11-26-20)15-6-5-7-16(25)12-15/h1-12,14,22H,13H2
InChIKeyWCHDEXUOWXONOO-UHFFFAOYSA-N
XLogP5.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 60615686) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(-c2ccccc2Cl)n1)OC(c1cccc(F)c1)c1ccccn1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is WCHDEXUOWXONOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O2S/c24-19-9-2-1-8-18(19)23-27-17(14-30-23)13-21(28)29-22(20-10-3-4-11-26-20)15-6-5-7-16(25)12-15/h1-12,14,22H,13H2.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 438.91 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 60615686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).