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

C15H14N2O4S — CID 7419422

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)o1
InChIInChI=1S/C15H14N2O4S/c1-8-7-22-15-16-11(5-13(18)17(8)15)6-20-14(19)12-4-9(2)21-10(12)3/h4-5,7H,6H2,1-3H3
InChIKeyLPWZXAPXMVAXHL-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.63
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 7419422) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID7419422
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)o1
InChIInChI=1S/C15H14N2O4S/c1-8-7-22-15-16-11(5-13(18)17(8)15)6-20-14(19)12-4-9(2)21-10(12)3/h4-5,7H,6H2,1-3H3
InChIKeyLPWZXAPXMVAXHL-UHFFFAOYSA-N
XLogP2.63
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 7419422) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)o1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is LPWZXAPXMVAXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-8-7-22-15-16-11(5-13(18)17(8)15)6-20-14(19)12-4-9(2)21-10(12)3/h4-5,7H,6H2,1-3H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).