(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C12H12N2O2S — CID 1217918

IUPAC(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(/C=c2/sc3n(c2=O)CCCN=3)o1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-9(16-8)7-10-11(15)14-6-2-5-13-12(14)17-10/h3-4,7H,2,5-6H2,1H3/b10-7+
InChIKeyGUXRQFHISNGRJE-JXMROGBWSA-N
MW248.31 g/mol
LogP0.66
Rot. Bonds1

About (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 1217918) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID1217918
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(/C=c2/sc3n(c2=O)CCCN=3)o1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-9(16-8)7-10-11(15)14-6-2-5-13-12(14)17-10/h3-4,7H,2,5-6H2,1H3/b10-7+
InChIKeyGUXRQFHISNGRJE-JXMROGBWSA-N
XLogP0.66
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 1217918) is (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is Cc1ccc(/C=c2/sc3n(c2=O)CCCN=3)o1.
What is the InChIKey of (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is GUXRQFHISNGRJE-JXMROGBWSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-4-9(16-8)7-10-11(15)14-6-2-5-13-12(14)17-10/h3-4,7H,2,5-6H2,1H3/b10-7+.
What are the key properties of (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 248.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-methylfuran-2-yl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 1217918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).