6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H14N2OS — CID 67962403

IUPAC6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H14N2OS/c1-3-4-5-9-8(2)12-11-13(10(9)14)6-7-15-11/h6-7H,3-5H2,1-2H3
InChIKeyRGMPJAVSCVMHSD-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.41
Rot. Bonds3

About 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 67962403) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID67962403
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H14N2OS/c1-3-4-5-9-8(2)12-11-13(10(9)14)6-7-15-11/h6-7H,3-5H2,1-2H3
InChIKeyRGMPJAVSCVMHSD-UHFFFAOYSA-N
XLogP2.41
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 67962403) is 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCc1c(C)nc2sccn2c1=O.
What is the InChIKey of 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RGMPJAVSCVMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-4-5-9-8(2)12-11-13(10(9)14)6-7-15-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 222.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 67962403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).