(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate

C21H15FN2O4S — CID 7439918

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H15FN2O4S/c22-15-7-5-14(6-8-15)12-27-18-4-2-1-3-17(18)20(26)28-13-16-11-19(25)24-9-10-29-21(24)23-16/h1-11H,12-13H2
InChIKeyHGLWATAEQUJORZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.83
Rot. Bonds6

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 7439918) has the molecular formula C21H15FN2O4S and a molecular weight of 410.43 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
PubChem CID7439918
Molecular FormulaC21H15FN2O4S
Molecular Weight410.43 g/mol
Exact Mass410.07
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H15FN2O4S/c22-15-7-5-14(6-8-15)12-27-18-4-2-1-3-17(18)20(26)28-13-16-11-19(25)24-9-10-29-21(24)23-16/h1-11H,12-13H2
InChIKeyHGLWATAEQUJORZ-UHFFFAOYSA-N
XLogP3.83
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate (CID 7439918) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is HGLWATAEQUJORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S/c22-15-7-5-14(6-8-15)12-27-18-4-2-1-3-17(18)20(26)28-13-16-11-19(25)24-9-10-29-21(24)23-16/h1-11H,12-13H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 410.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 7439918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).