6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H21N3O3S — CID 16869166

IUPAC6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H21N3O3S/c1-3-12-10(2)16-15-18(14(12)20)11(9-22-15)8-13(19)17-4-6-21-7-5-17/h11H,3-9H2,1-2H3
InChIKeyDCIOTSYPIQIPEV-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.01
Rot. Bonds3

About 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16869166) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16869166
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H21N3O3S/c1-3-12-10(2)16-15-18(14(12)20)11(9-22-15)8-13(19)17-4-6-21-7-5-17/h11H,3-9H2,1-2H3
InChIKeyDCIOTSYPIQIPEV-UHFFFAOYSA-N
XLogP1.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16869166) is 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(C)nc2n(c1=O)C(CC(=O)N1CCOCC1)CS2.
What is the InChIKey of 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DCIOTSYPIQIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-12-10(2)16-15-18(14(12)20)11(9-22-15)8-13(19)17-4-6-21-7-5-17/h11H,3-9H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.42 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16869166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).