2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C18H17FN2OS — CID 2601307

IUPAC2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H17FN2OS/c19-16-10-5-4-7-14(16)13-17(22)21-11-6-12-23-18(21)20-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2/b20-18-
InChIKeyLUHCYIWCNVLJAH-ZZEZOPTASA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 2601307) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID2601307
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H17FN2OS/c19-16-10-5-4-7-14(16)13-17(22)21-11-6-12-23-18(21)20-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2/b20-18-
InChIKeyLUHCYIWCNVLJAH-ZZEZOPTASA-N
XLogP4.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 2601307) is 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is O=C(Cc1ccccc1F)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is LUHCYIWCNVLJAH-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-16-10-5-4-7-14(16)13-17(22)21-11-6-12-23-18(21)20-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2/b20-18-.
What are the key properties of 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 2601307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).