2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

C14H10N2O2S — CID 2898060

IUPAC2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2ccco2)Sc2nc3ccccc3n21
InChIInChI=1S/C14H10N2O2S/c17-13-8-12(11-6-3-7-18-11)19-14-15-9-4-1-2-5-10(9)16(13)14/h1-7,12H,8H2
InChIKeyMTFDIMFGKQZVDK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.51
Rot. Bonds1

About 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2898060) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2898060
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2ccco2)Sc2nc3ccccc3n21
InChIInChI=1S/C14H10N2O2S/c17-13-8-12(11-6-3-7-18-11)19-14-15-9-4-1-2-5-10(9)16(13)14/h1-7,12H,8H2
InChIKeyMTFDIMFGKQZVDK-UHFFFAOYSA-N
XLogP3.51
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2898060) is 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is O=C1CC(c2ccco2)Sc2nc3ccccc3n21.
What is the InChIKey of 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is MTFDIMFGKQZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-8-12(11-6-3-7-18-11)19-14-15-9-4-1-2-5-10(9)16(13)14/h1-7,12H,8H2.
What are the key properties of 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 270.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2898060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).