(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate

C20H13FN2O3S — CID 20946597

IUPAC(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
SMILESO=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19(25)26-11-16-10-18(24)23-17(12-27-20(23)22-16)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyFSZDVYQZEWHEAA-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.92
Rot. Bonds4

About (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate

(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate (PubChem CID 20946597) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate.

Molecular Properties

Compound Name(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
PubChem CID20946597
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
SMILESO=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19(25)26-11-16-10-18(24)23-17(12-27-20(23)22-16)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyFSZDVYQZEWHEAA-UHFFFAOYSA-N
XLogP3.92
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
The IUPAC name of (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate (CID 20946597) is (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate.
What is the SMILES notation for (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
The canonical SMILES for (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate is O=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccc(F)cc1.
What is the InChIKey of (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
The InChIKey is FSZDVYQZEWHEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19(25)26-11-16-10-18(24)23-17(12-27-20(23)22-16)13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate has a molecular weight of 380.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate is sourced from PubChem (CID 20946597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).