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

C13H12N2OS2 — CID 123142193

IUPAC7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2c(-c3ccsc3)c(C)sc2n1
InChIInChI=1S/C13H12N2OS2/c1-3-10-6-11(16)15-12(9-4-5-17-7-9)8(2)18-13(15)14-10/h4-7H,3H2,1-2H3
InChIKeyCOXMVEZODVLKAS-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.36
Rot. Bonds2

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

7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 123142193) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID123142193
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2c(-c3ccsc3)c(C)sc2n1
InChIInChI=1S/C13H12N2OS2/c1-3-10-6-11(16)15-12(9-4-5-17-7-9)8(2)18-13(15)14-10/h4-7H,3H2,1-2H3
InChIKeyCOXMVEZODVLKAS-UHFFFAOYSA-N
XLogP3.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 123142193) is 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2c(-c3ccsc3)c(C)sc2n1.
What is the InChIKey of 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is COXMVEZODVLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-3-10-6-11(16)15-12(9-4-5-17-7-9)8(2)18-13(15)14-10/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 276.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-3-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 123142193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).