furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone

C15H14N2O2S — CID 2109139

IUPACfuran-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccco1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C15H14N2O2S/c18-14(13-8-4-10-19-13)17-9-5-11-20-15(17)16-12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2/b16-15-
InChIKeyANDZPVSMSZLMMA-NXVVXOECSA-N
MW286.36 g/mol
LogP3.55
Rot. Bonds2

About furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone

furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone (PubChem CID 2109139) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone
PubChem CID2109139
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namefuran-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccco1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C15H14N2O2S/c18-14(13-8-4-10-19-13)17-9-5-11-20-15(17)16-12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2/b16-15-
InChIKeyANDZPVSMSZLMMA-NXVVXOECSA-N
XLogP3.55
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The IUPAC name of furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone (CID 2109139) is furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The canonical SMILES for furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone is O=C(c1ccco1)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The InChIKey is ANDZPVSMSZLMMA-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14(13-8-4-10-19-13)17-9-5-11-20-15(17)16-12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2/b16-15-.
What are the key properties of furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone is sourced from PubChem (CID 2109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).