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

C20H14FN3O2S2 — CID 8920342

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O2S2/c21-15-5-3-13(4-6-15)19-24-17(12-28-19)10-26-18(25)8-16-11-27-20(23-16)14-2-1-7-22-9-14/h1-7,9,11-12H,8,10H2
InChIKeyXRTFOOZZHDTXSI-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.75
Rot. Bonds6

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

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8920342) has the molecular formula C20H14FN3O2S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8920342
Molecular FormulaC20H14FN3O2S2
Molecular Weight411.48 g/mol
Exact Mass411.05
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O2S2/c21-15-5-3-13(4-6-15)19-24-17(12-28-19)10-26-18(25)8-16-11-27-20(23-16)14-2-1-7-22-9-14/h1-7,9,11-12H,8,10H2
InChIKeyXRTFOOZZHDTXSI-UHFFFAOYSA-N
XLogP4.75
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8920342) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccnc2)n1)OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is XRTFOOZZHDTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S2/c21-15-5-3-13(4-6-15)19-24-17(12-28-19)10-26-18(25)8-16-11-27-20(23-16)14-2-1-7-22-9-14/h1-7,9,11-12H,8,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 411.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8920342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).