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

C7H6N2OS — CID 102406333

IUPAC2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)ccnc2s1
InChIInChI=1S/C7H6N2OS/c1-5-4-9-6(10)2-3-8-7(9)11-5/h2-4H,1H3
InChIKeyGWGAXVNXQIHLMZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.06
Rot. Bonds

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

2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 102406333) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID102406333
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)ccnc2s1
InChIInChI=1S/C7H6N2OS/c1-5-4-9-6(10)2-3-8-7(9)11-5/h2-4H,1H3
InChIKeyGWGAXVNXQIHLMZ-UHFFFAOYSA-N
XLogP1.06
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 102406333) is 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)ccnc2s1.
What is the InChIKey of 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GWGAXVNXQIHLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5-4-9-6(10)2-3-8-7(9)11-5/h2-4H,1H3.
What are the key properties of 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 166.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 102406333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).