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

C14H12N2O4S — CID 2584441

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)o1
InChIInChI=1S/C14H12N2O4S/c1-8-5-11(9(2)20-8)13(18)19-7-10-6-12(17)16-3-4-21-14(16)15-10/h3-6H,7H2,1-2H3
InChIKeyAFZOFPDTDHVNGH-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.32
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 2584441) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID2584441
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)o1
InChIInChI=1S/C14H12N2O4S/c1-8-5-11(9(2)20-8)13(18)19-7-10-6-12(17)16-3-4-21-14(16)15-10/h3-6H,7H2,1-2H3
InChIKeyAFZOFPDTDHVNGH-UHFFFAOYSA-N
XLogP2.32
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.32
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 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 2584441) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)o1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is AFZOFPDTDHVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-8-5-11(9(2)20-8)13(18)19-7-10-6-12(17)16-3-4-21-14(16)15-10/h3-6H,7H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 2.32, 3 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 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).