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

C17H17FN4O2S — CID 87013886

IUPAC7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CCOC(c4ccc(F)cc4)C3)sc2n1
InChIInChI=1S/C17H17FN4O2S/c1-2-13-9-15(23)22-16(19-13)25-17(20-22)21-7-8-24-14(10-21)11-3-5-12(18)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyAPODUIPMQWPHLH-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.43
Rot. Bonds3

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

7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 87013886) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID87013886
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N3CCOC(c4ccc(F)cc4)C3)sc2n1
InChIInChI=1S/C17H17FN4O2S/c1-2-13-9-15(23)22-16(19-13)25-17(20-22)21-7-8-24-14(10-21)11-3-5-12(18)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyAPODUIPMQWPHLH-UHFFFAOYSA-N
XLogP2.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133347027
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
7-ethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133274559
2-[2-(3-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86884100
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
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
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
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
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-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 87013886) is 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N3CCOC(c4ccc(F)cc4)C3)sc2n1.
What is the InChIKey of 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is APODUIPMQWPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-2-13-9-15(23)22-16(19-13)25-17(20-22)21-7-8-24-14(10-21)11-3-5-12(18)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3.
What are the key properties of 7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 360.41 g/mol, XLogP of 2.43, 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-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 87013886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).