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

C8H8N2O2S — CID 1482416

IUPAC6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C8H8N2O2S/c1-5(11)6-4-9-8-10(7(6)12)2-3-13-8/h4H,2-3H2,1H3
InChIKeyQBCLJAGTRMZNDH-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.55
Rot. Bonds1

About 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 1482416) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID1482416
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C8H8N2O2S/c1-5(11)6-4-9-8-10(7(6)12)2-3-13-8/h4H,2-3H2,1H3
InChIKeyQBCLJAGTRMZNDH-UHFFFAOYSA-N
XLogP0.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 1482416) is 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QBCLJAGTRMZNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-5(11)6-4-9-8-10(7(6)12)2-3-13-8/h4H,2-3H2,1H3.
What are the key properties of 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 1482416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).