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

C8H8N2OS — CID 67796434

IUPAC7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2OS/c1-2-6-5-7(11)10-3-4-12-8(10)9-6/h3-5H,2H2,1H3
InChIKeyLTKOIMGIZMSAPP-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.32
Rot. Bonds1

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

7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 67796434) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID67796434
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2OS/c1-2-6-5-7(11)10-3-4-12-8(10)9-6/h3-5H,2H2,1H3
InChIKeyLTKOIMGIZMSAPP-UHFFFAOYSA-N
XLogP1.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6468090
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N,N-diethylcarbamodithioate
CID 8891253
2,7-Dimethyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
5-methyl-7H-[1,2-a]pyrimidin-7-one
CID 54613743
7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470619
7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135534238
7-Propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12046258
6,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-5-one
CID 13105849
7-Propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17122073
8-methyl-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 19001813
3-Methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one
CID 22406439

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 67796434) is 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LTKOIMGIZMSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-6-5-7(11)10-3-4-12-8(10)9-6/h3-5H,2H2,1H3.
What are the key properties of 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 180.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 67796434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).