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

C16H11FN2OS — CID 2963676

IUPAC2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2cccc(F)c2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-5-3-4-10(8-11)14-9-15(20)19-13-7-2-1-6-12(13)18-16(19)21-14/h1-8,14H,9H2
InChIKeyLYMLQDDFSQJDEG-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.05
Rot. Bonds1

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

2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2963676) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2963676
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2cccc(F)c2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-5-3-4-10(8-11)14-9-15(20)19-13-7-2-1-6-12(13)18-16(19)21-14/h1-8,14H,9H2
InChIKeyLYMLQDDFSQJDEG-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2963676) is 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is O=C1CC(c2cccc(F)c2)Sc2nc3ccccc3n21.
What is the InChIKey of 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is LYMLQDDFSQJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-11-5-3-4-10(8-11)14-9-15(20)19-13-7-2-1-6-12(13)18-16(19)21-14/h1-8,14H,9H2.
What are the key properties of 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 298.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2963676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).