6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H14N2O2S — CID 155809201

IUPAC6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(-c3ccccc3)n2c(=O)c1CCO
InChIInChI=1S/C15H14N2O2S/c1-10-12(7-8-18)14(19)17-13(9-20-15(17)16-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3
InChIKeyXRJZUGFJXYIGDM-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.27
Rot. Bonds3

About 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 155809201) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID155809201
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(-c3ccccc3)n2c(=O)c1CCO
InChIInChI=1S/C15H14N2O2S/c1-10-12(7-8-18)14(19)17-13(9-20-15(17)16-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3
InChIKeyXRJZUGFJXYIGDM-UHFFFAOYSA-N
XLogP2.27
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 155809201) is 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2scc(-c3ccccc3)n2c(=O)c1CCO.
What is the InChIKey of 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XRJZUGFJXYIGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-12(7-8-18)14(19)17-13(9-20-15(17)16-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 286.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 155809201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).