7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H20N4O2S — CID 86789516

IUPAC7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(NCc1cc(=O)n2c(C)csc2n1)c1c(C)noc1C
InChIInChI=1S/C16H20N4O2S/c1-5-13(15-10(3)19-22-11(15)4)17-7-12-6-14(21)20-9(2)8-23-16(20)18-12/h6,8,13,17H,5,7H2,1-4H3
InChIKeyKUMVETALNKGBCM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.91
Rot. Bonds5

About 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86789516) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86789516
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(NCc1cc(=O)n2c(C)csc2n1)c1c(C)noc1C
InChIInChI=1S/C16H20N4O2S/c1-5-13(15-10(3)19-22-11(15)4)17-7-12-6-14(21)20-9(2)8-23-16(20)18-12/h6,8,13,17H,5,7H2,1-4H3
InChIKeyKUMVETALNKGBCM-UHFFFAOYSA-N
XLogP2.91
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86789516) is 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC(NCc1cc(=O)n2c(C)csc2n1)c1c(C)noc1C.
What is the InChIKey of 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KUMVETALNKGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-5-13(15-10(3)19-22-11(15)4)17-7-12-6-14(21)20-9(2)8-23-16(20)18-12/h6,8,13,17H,5,7H2,1-4H3.
What are the key properties of 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 332.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86789516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).