8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate

C9H10N2O2S — CID 13463976

IUPAC8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SMILESCC[n+]1c([O-])c(C)c(=O)n2ccsc21
InChIInChI=1S/C9H10N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h4-5H,3H2,1-2H3
InChIKeyZGHGJZFUECOURP-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.05
Rot. Bonds1

About 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate

8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate (PubChem CID 13463976) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate.

Molecular Properties

Compound Name8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
PubChem CID13463976
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SMILESCC[n+]1c([O-])c(C)c(=O)n2ccsc21
InChIInChI=1S/C9H10N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h4-5H,3H2,1-2H3
InChIKeyZGHGJZFUECOURP-UHFFFAOYSA-N
XLogP0.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate?
The IUPAC name of 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate (CID 13463976) is 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate.
What is the SMILES notation for 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate?
The canonical SMILES for 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate is CC[n+]1c([O-])c(C)c(=O)n2ccsc21.
What is the InChIKey of 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate?
The InChIKey is ZGHGJZFUECOURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h4-5H,3H2,1-2H3.
What are the key properties of 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate?
8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate has a molecular weight of 210.26 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate is sourced from PubChem (CID 13463976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).