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

C6H6N2OS — CID 641898

IUPAC2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CCS2
InChIInChI=1S/C6H6N2OS/c9-5-1-2-7-6-8(5)3-4-10-6/h1-2H,3-4H2
InChIKeyRGXUNBIQSDFKSO-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.35
Rot. Bonds

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

2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 641898) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID641898
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CCS2
InChIInChI=1S/C6H6N2OS/c9-5-1-2-7-6-8(5)3-4-10-6/h1-2H,3-4H2
InChIKeyRGXUNBIQSDFKSO-UHFFFAOYSA-N
XLogP0.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 641898) is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2n1CCS2.
What is the InChIKey of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RGXUNBIQSDFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c9-5-1-2-7-6-8(5)3-4-10-6/h1-2H,3-4H2.
What are the key properties of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 154.19 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 641898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).