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

C13H15N3O3S — CID 126469146

IUPAC7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O3S/c1-2-9-10(11(17)15-3-6-19-7-4-15)12(18)16-5-8-20-13(16)14-9/h5,8H,2-4,6-7H2,1H3
InChIKeyMXSHVDYLJNVHIG-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.79
Rot. Bonds2

About 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469146) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469146
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O3S/c1-2-9-10(11(17)15-3-6-19-7-4-15)12(18)16-5-8-20-13(16)14-9/h5,8H,2-4,6-7H2,1H3
InChIKeyMXSHVDYLJNVHIG-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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Related Compounds

5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
3-Methyl-6-(morpholine-4-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 4405956
2,3-Dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
6-(2,6-Dimethylmorpholine-4-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469163
7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469385
7-ethyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469433
7-Methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469546
3-Ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469711
6-(2,6-Dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470040
7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470297
3-Tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470473
7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470619

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469146) is 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1nc2sccn2c(=O)c1C(=O)N1CCOCC1.
What is the InChIKey of 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MXSHVDYLJNVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-9-10(11(17)15-3-6-19-7-4-15)12(18)16-5-8-20-13(16)14-9/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-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 7-ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).