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

C18H14N2O5S — CID 7550875

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12
InChIInChI=1S/C18H14N2O5S/c1-23-10-13-12-4-2-3-5-14(12)25-16(13)17(22)24-9-11-8-15(21)20-6-7-26-18(20)19-11/h2-8H,9-10H2,1H3
InChIKeyWJIZREHIILZHTA-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.01
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7550875) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7550875
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12
InChIInChI=1S/C18H14N2O5S/c1-23-10-13-12-4-2-3-5-14(12)25-16(13)17(22)24-9-11-8-15(21)20-6-7-26-18(20)19-11/h2-8H,9-10H2,1H3
InChIKeyWJIZREHIILZHTA-UHFFFAOYSA-N
XLogP3.01
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.01
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 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7550875) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is WJIZREHIILZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c1-23-10-13-12-4-2-3-5-14(12)25-16(13)17(22)24-9-11-8-15(21)20-6-7-26-18(20)19-11/h2-8H,9-10H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 370.39 g/mol, XLogP of 3.01, 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 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7550875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).