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

C8H10N2O2S — CID 135420401

IUPAC6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C8H10N2O2S/c1-2-5-6(11)9-8-10(7(5)12)3-4-13-8/h11H,2-4H2,1H3
InChIKeyGDYJYCACEOUBCJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.62
Rot. Bonds1

About 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135420401) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135420401
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C8H10N2O2S/c1-2-5-6(11)9-8-10(7(5)12)3-4-13-8/h11H,2-4H2,1H3
InChIKeyGDYJYCACEOUBCJ-UHFFFAOYSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135420401) is 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(O)nc2n(c1=O)CCS2.
What is the InChIKey of 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GDYJYCACEOUBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-5-6(11)9-8-10(7(5)12)3-4-13-8/h11H,2-4H2,1H3.
What are the key properties of 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 198.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135420401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).