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

C12H8N2O4S — CID 2631596

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccco1
InChIInChI=1S/C12H8N2O4S/c15-10-6-8(13-12-14(10)3-5-19-12)7-18-11(16)9-2-1-4-17-9/h1-6H,7H2
InChIKeyJIUDVJVPRTWODJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.71
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate (PubChem CID 2631596) has the molecular formula C12H8N2O4S and a molecular weight of 276.27 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate
PubChem CID2631596
Molecular FormulaC12H8N2O4S
Molecular Weight276.27 g/mol
Exact Mass276.02
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccco1
InChIInChI=1S/C12H8N2O4S/c15-10-6-8(13-12-14(10)3-5-19-12)7-18-11(16)9-2-1-4-17-9/h1-6H,7H2
InChIKeyJIUDVJVPRTWODJ-UHFFFAOYSA-N
XLogP1.71
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.71
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 furan-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate (CID 2631596) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccco1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate?
The InChIKey is JIUDVJVPRTWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S/c15-10-6-8(13-12-14(10)3-5-19-12)7-18-11(16)9-2-1-4-17-9/h1-6H,7H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate has a molecular weight of 276.27 g/mol, XLogP of 1.71, 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 furan-2-carboxylate is sourced from PubChem (CID 2631596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).