ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H12N2OS — CID 162749117

IUPACethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC.Cc1cnc2sccn2c1=O
InChIInChI=1S/C7H6N2OS.C2H6/c1-5-4-8-7-9(6(5)10)2-3-11-7;1-2/h2-4H,1H3;1-2H3
InChIKeyXBTPTEXZCAYFEV-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.09
Rot. Bonds

About ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 162749117) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Nameethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID162749117
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC.Cc1cnc2sccn2c1=O
InChIInChI=1S/C7H6N2OS.C2H6/c1-5-4-8-7-9(6(5)10)2-3-11-7;1-2/h2-4H,1H3;1-2H3
InChIKeyXBTPTEXZCAYFEV-UHFFFAOYSA-N
XLogP2.09
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 162749117) is ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC.Cc1cnc2sccn2c1=O.
What is the InChIKey of ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XBTPTEXZCAYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS.C2H6/c1-5-4-8-7-9(6(5)10)2-3-11-7;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 162749117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).