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

C14H9FN2O3S — CID 2627165

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3S/c15-10-3-1-9(2-4-10)13(19)20-8-11-7-12(18)17-5-6-21-14(17)16-11/h1-7H,8H2
InChIKeyKEXSZGYONSALQM-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.25
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate (PubChem CID 2627165) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
PubChem CID2627165
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3S/c15-10-3-1-9(2-4-10)13(19)20-8-11-7-12(18)17-5-6-21-14(17)16-11/h1-7H,8H2
InChIKeyKEXSZGYONSALQM-UHFFFAOYSA-N
XLogP2.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 4-fluorobenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate (CID 2627165) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
The InChIKey is KEXSZGYONSALQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c15-10-3-1-9(2-4-10)13(19)20-8-11-7-12(18)17-5-6-21-14(17)16-11/h1-7H,8H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate has a molecular weight of 304.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate is sourced from PubChem (CID 2627165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).