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

C16H23N3O3S — CID 16868786

IUPAC7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)12-9-14(21)19-11(10-23-15(19)17-12)8-13(20)18-4-6-22-7-5-18/h9,11H,4-8,10H2,1-3H3
InChIKeyPNPPJNIIIWIDCQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.44
Rot. Bonds2

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

7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868786) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868786
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)12-9-14(21)19-11(10-23-15(19)17-12)8-13(20)18-4-6-22-7-5-18/h9,11H,4-8,10H2,1-3H3
InChIKeyPNPPJNIIIWIDCQ-UHFFFAOYSA-N
XLogP1.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868786) is 7-tert-butyl-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 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCOCC1.
What is the InChIKey of 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PNPPJNIIIWIDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2,3)12-9-14(21)19-11(10-23-15(19)17-12)8-13(20)18-4-6-22-7-5-18/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.45 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).