2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H16N6O5S2 — CID 135464081

IUPAC2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)c(C(c3ccco3)c3c(O)nc4sc(CC)nn4c3=O)c(O)nc2s1
InChIInChI=1S/C19H16N6O5S2/c1-3-9-22-24-16(28)12(14(26)20-18(24)31-9)11(8-6-5-7-30-8)13-15(27)21-19-25(17(13)29)23-10(4-2)32-19/h5-7,11,26-27H,3-4H2,1-2H3
InChIKeyIMURUXVHQLXZRX-UHFFFAOYSA-N
MW472.51 g/mol
LogP1.92
Rot. Bonds5

About 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135464081) has the molecular formula C19H16N6O5S2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID135464081
Molecular FormulaC19H16N6O5S2
Molecular Weight472.51 g/mol
Exact Mass472.06
IUPAC Name2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)c(C(c3ccco3)c3c(O)nc4sc(CC)nn4c3=O)c(O)nc2s1
InChIInChI=1S/C19H16N6O5S2/c1-3-9-22-24-16(28)12(14(26)20-18(24)31-9)11(8-6-5-7-30-8)13-15(27)21-19-25(17(13)29)23-10(4-2)32-19/h5-7,11,26-27H,3-4H2,1-2H3
InChIKeyIMURUXVHQLXZRX-UHFFFAOYSA-N
XLogP1.92
TPSA148.12 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135464081) is 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1nn2c(=O)c(C(c3ccco3)c3c(O)nc4sc(CC)nn4c3=O)c(O)nc2s1.
What is the InChIKey of 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IMURUXVHQLXZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O5S2/c1-3-9-22-24-16(28)12(14(26)20-18(24)31-9)11(8-6-5-7-30-8)13-15(27)21-19-25(17(13)29)23-10(4-2)32-19/h5-7,11,26-27H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 472.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-ethyl-7-hydroxy-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(furan-2-yl)methyl]-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135464081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).