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

C15H13FN4O2S — CID 87013885

IUPAC2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(N3CCOC(c4ccc(F)cc4)C3)nn12
InChIInChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)12-9-19(7-8-22-12)15-18-20-13(21)5-6-17-14(20)23-15/h1-6,12H,7-9H2
InChIKeyNAQBHHPNHRBLOU-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.87
Rot. Bonds2

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

2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 87013885) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID87013885
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(N3CCOC(c4ccc(F)cc4)C3)nn12
InChIInChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)12-9-19(7-8-22-12)15-18-20-13(21)5-6-17-14(20)23-15/h1-6,12H,7-9H2
InChIKeyNAQBHHPNHRBLOU-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86884100
7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013886
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
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-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile
CID 95455764
2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 133456570
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
(2R)-4-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-fluorophenyl)phenyl]morpholine
CID 155405578
2-(4-fluorophenyl)-4-[5-(methylsulfonylmethyl)-2-pyridinyl]morpholine
CID 56875710
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 87013885) is 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(N3CCOC(c4ccc(F)cc4)C3)nn12.
What is the InChIKey of 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NAQBHHPNHRBLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)12-9-19(7-8-22-12)15-18-20-13(21)5-6-17-14(20)23-15/h1-6,12H,7-9H2.
What are the key properties of 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 332.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 87013885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).