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

C16H10N2O4S — CID 7193674

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1cc2ccccc2o1
InChIInChI=1S/C16H10N2O4S/c19-14-8-11(17-16-18(14)5-6-23-16)9-21-15(20)13-7-10-3-1-2-4-12(10)22-13/h1-8H,9H2
InChIKeyMUSGHPRMOJBQAN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.86
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate (PubChem CID 7193674) has the molecular formula C16H10N2O4S and a molecular weight of 326.33 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
PubChem CID7193674
Molecular FormulaC16H10N2O4S
Molecular Weight326.33 g/mol
Exact Mass326.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1cc2ccccc2o1
InChIInChI=1S/C16H10N2O4S/c19-14-8-11(17-16-18(14)5-6-23-16)9-21-15(20)13-7-10-3-1-2-4-12(10)22-13/h1-8H,9H2
InChIKeyMUSGHPRMOJBQAN-UHFFFAOYSA-N
XLogP2.86
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.86
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 1-benzofuran-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate (CID 7193674) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)c1cc2ccccc2o1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
The InChIKey is MUSGHPRMOJBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4S/c19-14-8-11(17-16-18(14)5-6-23-16)9-21-15(20)13-7-10-3-1-2-4-12(10)22-13/h1-8H,9H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 2.86, 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 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).