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

C19H16N2O5S — CID 2640022

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCc3cc(=O)n4ccsc4n3)c(C)c2c1
InChIInChI=1S/C19H16N2O5S/c1-3-24-13-4-5-15-14(9-13)11(2)17(26-15)18(23)25-10-12-8-16(22)21-6-7-27-19(21)20-12/h4-9H,3,10H2,1-2H3
InChIKeyFQEAUKBYWBQNOI-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.57
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2640022) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2640022
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCc3cc(=O)n4ccsc4n3)c(C)c2c1
InChIInChI=1S/C19H16N2O5S/c1-3-24-13-4-5-15-14(9-13)11(2)17(26-15)18(23)25-10-12-8-16(22)21-6-7-27-19(21)20-12/h4-9H,3,10H2,1-2H3
InChIKeyFQEAUKBYWBQNOI-UHFFFAOYSA-N
XLogP3.57
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2640022) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccc2oc(C(=O)OCc3cc(=O)n4ccsc4n3)c(C)c2c1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is FQEAUKBYWBQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-3-24-13-4-5-15-14(9-13)11(2)17(26-15)18(23)25-10-12-8-16(22)21-6-7-27-19(21)20-12/h4-9H,3,10H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2640022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).