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

C9H10N2OS — CID 50820855

IUPAC3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C9H10N2OS/c1-3-7-5-13-9-10-6(2)4-8(12)11(7)9/h4-5H,3H2,1-2H3
InChIKeyBCSXCKWOMUNNPJ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.63
Rot. Bonds1

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

3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50820855) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID50820855
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C9H10N2OS/c1-3-7-5-13-9-10-6(2)4-8(12)11(7)9/h4-5H,3H2,1-2H3
InChIKeyBCSXCKWOMUNNPJ-UHFFFAOYSA-N
XLogP1.63
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 50820855) is 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1csc2nc(C)cc(=O)n12.
What is the InChIKey of 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BCSXCKWOMUNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-3-7-5-13-9-10-6(2)4-8(12)11(7)9/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 194.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50820855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).