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

C13H10N2O4S — CID 42886537

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H10N2O4S/c1-8-2-4-18-11(8)12(17)19-7-9-6-10(16)15-3-5-20-13(15)14-9/h2-6H,7H2,1H3
InChIKeyVRZLFYSMFXABDP-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.01
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate (PubChem CID 42886537) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate
PubChem CID42886537
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H10N2O4S/c1-8-2-4-18-11(8)12(17)19-7-9-6-10(16)15-3-5-20-13(15)14-9/h2-6H,7H2,1H3
InChIKeyVRZLFYSMFXABDP-UHFFFAOYSA-N
XLogP2.01
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.01
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-methylfuran-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate (CID 42886537) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate?
The InChIKey is VRZLFYSMFXABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c1-8-2-4-18-11(8)12(17)19-7-9-6-10(16)15-3-5-20-13(15)14-9/h2-6H,7H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylfuran-2-carboxylate has a molecular weight of 290.30 g/mol, XLogP of 2.01, 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 3-methylfuran-2-carboxylate is sourced from PubChem (CID 42886537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).