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

C18H20N4O2S — CID 133274559

IUPAC7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CC(C)OC(c4ccccc4)C3)sc2n1
InChIInChI=1S/C18H20N4O2S/c1-3-14-9-16(23)22-17(19-14)25-18(20-22)21-10-12(2)24-15(11-21)13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3
InChIKeyOTLZKIAKMQTRLO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.68
Rot. Bonds3

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

7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133274559) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133274559
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CC(C)OC(c4ccccc4)C3)sc2n1
InChIInChI=1S/C18H20N4O2S/c1-3-14-9-16(23)22-17(19-14)25-18(20-22)21-10-12(2)24-15(11-21)13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3
InChIKeyOTLZKIAKMQTRLO-UHFFFAOYSA-N
XLogP2.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133347027
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
7-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278608
7-ethyl-2-[(2-phenyloxan-4-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133474075
2-(4-cyclohexyloxypiperidin-1-yl)-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278349
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-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 92707154
7-ethyl-2-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 97185423
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133344309
7-ethyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879035

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133274559) is 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N3CC(C)OC(c4ccccc4)C3)sc2n1.
What is the InChIKey of 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OTLZKIAKMQTRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-14-9-16(23)22-17(19-14)25-18(20-22)21-10-12(2)24-15(11-21)13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3.
What are the key properties of 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 356.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133274559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).