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

C15H21N3O3S — CID 16868596

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O3S/c1-10(2)12-8-14(20)18-11(9-22-15(18)16-12)7-13(19)17-3-5-21-6-4-17/h8,10-11H,3-7,9H2,1-2H3
InChIKeyPTMJHCXDPBTXOI-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.26
Rot. Bonds3

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

3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868596) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868596
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O3S/c1-10(2)12-8-14(20)18-11(9-22-15(18)16-12)7-13(19)17-3-5-21-6-4-17/h8,10-11H,3-7,9H2,1-2H3
InChIKeyPTMJHCXDPBTXOI-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868596) is 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PTMJHCXDPBTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10(2)12-8-14(20)18-11(9-22-15(18)16-12)7-13(19)17-3-5-21-6-4-17/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).