2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C11H10N2O2S — CID 2891446

IUPAC2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2ccco2)sc2n1CCCN=2
InChIInChI=1S/C11H10N2O2S/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2
InChIKeyPVYYCXYSLCZRJA-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.35
Rot. Bonds1

About 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 2891446) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID2891446
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2ccco2)sc2n1CCCN=2
InChIInChI=1S/C11H10N2O2S/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2
InChIKeyPVYYCXYSLCZRJA-UHFFFAOYSA-N
XLogP0.35
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 2891446) is 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=c1c(=Cc2ccco2)sc2n1CCCN=2.
What is the InChIKey of 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is PVYYCXYSLCZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2.
What are the key properties of 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 234.28 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 2891446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).