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

C15H11FN2O4S — CID 7991588

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1F
InChIInChI=1S/C15H11FN2O4S/c1-21-12-3-2-9(6-11(12)16)14(20)22-8-10-7-13(19)18-4-5-23-15(18)17-10/h2-7H,8H2,1H3
InChIKeyNTSBJNSRHGFABM-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.26
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate (PubChem CID 7991588) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
PubChem CID7991588
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1F
InChIInChI=1S/C15H11FN2O4S/c1-21-12-3-2-9(6-11(12)16)14(20)22-8-10-7-13(19)18-4-5-23-15(18)17-10/h2-7H,8H2,1H3
InChIKeyNTSBJNSRHGFABM-UHFFFAOYSA-N
XLogP2.26
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.26
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 3-fluoro-4-methoxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate (CID 7991588) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1F.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate?
The InChIKey is NTSBJNSRHGFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c1-21-12-3-2-9(6-11(12)16)14(20)22-8-10-7-13(19)18-4-5-23-15(18)17-10/h2-7H,8H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate has a molecular weight of 334.33 g/mol, XLogP of 2.26, 4 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 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7991588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).