6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H14FN3O3S — CID 74231506

IUPAC6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14FN3O3S/c18-12-3-1-11(2-4-12)14-10-20(5-7-24-14)15(22)13-9-19-17-21(16(13)23)6-8-25-17/h1-4,6,8-9,14H,5,7,10H2
InChIKeyMYULTQPQZKRCSN-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.11
Rot. Bonds2

About 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 74231506) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID74231506
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14FN3O3S/c18-12-3-1-11(2-4-12)14-10-20(5-7-24-14)15(22)13-9-19-17-21(16(13)23)6-8-25-17/h1-4,6,8-9,14H,5,7,10H2
InChIKeyMYULTQPQZKRCSN-UHFFFAOYSA-N
XLogP2.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 74231506) is 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MYULTQPQZKRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-12-3-1-11(2-4-12)14-10-20(5-7-24-14)15(22)13-9-19-17-21(16(13)23)6-8-25-17/h1-4,6,8-9,14H,5,7,10H2.
What are the key properties of 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 359.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 74231506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).