7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H16N4O3S — CID 133347027

IUPAC7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CCOC(c4ccco4)C3)sc2n1
InChIInChI=1S/C15H16N4O3S/c1-2-10-8-13(20)19-14(16-10)23-15(17-19)18-5-7-22-12(9-18)11-4-3-6-21-11/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKeyOTIFBLOUYAOPSU-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.88
Rot. Bonds3

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

7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133347027) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133347027
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CCOC(c4ccco4)C3)sc2n1
InChIInChI=1S/C15H16N4O3S/c1-2-10-8-13(20)19-14(16-10)23-15(17-19)18-5-7-22-12(9-18)11-4-3-6-21-11/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKeyOTIFBLOUYAOPSU-UHFFFAOYSA-N
XLogP1.88
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-ethyl-2-(2-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013710
7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013886
7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133274559
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
7-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278608
2-(4-cyclohexyloxypiperidin-1-yl)-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278349
2-[2-(3-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86884100
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
7-ethyl-2-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 97185423
7-ethyl-2-[(5R)-5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 97261556
7-ethyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879035
2-ethyl-7-[[2-(furan-2-yl)azepan-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 70736480

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133347027) is 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N3CCOC(c4ccco4)C3)sc2n1.
What is the InChIKey of 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OTIFBLOUYAOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-2-10-8-13(20)19-14(16-10)23-15(17-19)18-5-7-22-12(9-18)11-4-3-6-21-11/h3-4,6,8,12H,2,5,7,9H2,1H3.
What are the key properties of 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 332.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133347027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).