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

C13H15N3O3S — CID 126469711

IUPAC3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CCOCC3)c(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-2-9-8-20-13-14-7-10(12(18)16(9)13)11(17)15-3-5-19-6-4-15/h7-8H,2-6H2,1H3
InChIKeyZJTCYQKAKVDRLV-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.79
Rot. Bonds2

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

3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469711) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469711
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CCOCC3)c(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-2-9-8-20-13-14-7-10(12(18)16(9)13)11(17)15-3-5-19-6-4-15/h7-8H,2-6H2,1H3
InChIKeyZJTCYQKAKVDRLV-UHFFFAOYSA-N
XLogP0.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469711) is 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1csc2ncc(C(=O)N3CCOCC3)c(=O)n12.
What is the InChIKey of 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZJTCYQKAKVDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-9-8-20-13-14-7-10(12(18)16(9)13)11(17)15-3-5-19-6-4-15/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).