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

C16H11FN2OS — CID 711309

IUPAC(2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)14-9-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2/t14-/m0/s1
InChIKeyDZAPSETWJSNMRG-AWEZNQCLSA-N
MW298.34 g/mol
LogP4.05
Rot. Bonds1

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

(2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 711309) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID711309
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name(2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)14-9-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2/t14-/m0/s1
InChIKeyDZAPSETWJSNMRG-AWEZNQCLSA-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 (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 711309) is (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is O=C1C[C@@H](c2ccc(F)cc2)Sc2nc3ccccc3n21.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is DZAPSETWJSNMRG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)14-9-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
(2S)-2-(4-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 (2S)-2-(4-fluorophenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 711309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).