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

C14H19N3O3S — CID 16868976

IUPAC6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CCOCC1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-10(2)15-14-17(13(9)19)11(8-21-14)7-12(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3
InChIKeyYRKDFEIKHDAYAZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.76
Rot. Bonds2

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

6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868976) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868976
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CCOCC1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-10(2)15-14-17(13(9)19)11(8-21-14)7-12(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3
InChIKeyYRKDFEIKHDAYAZ-UHFFFAOYSA-N
XLogP0.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868976) is 6,7-dimethyl-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 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCOCC1)CS2.
What is the InChIKey of 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YRKDFEIKHDAYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-10(2)15-14-17(13(9)19)11(8-21-14)7-12(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3.
What are the key properties of 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.39 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).