2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone

C18H18N2OS — CID 921933

IUPAC2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone
SMILESO=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15/h1-10H,11-14H2/b19-18-
InChIKeyNCUODXILFTXELX-HNENSFHCSA-N
MW310.42 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone

2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone (PubChem CID 921933) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone
PubChem CID921933
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone
SMILESO=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15/h1-10H,11-14H2/b19-18-
InChIKeyNCUODXILFTXELX-HNENSFHCSA-N
XLogP3.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.47
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-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone?
The IUPAC name of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone (CID 921933) is 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone is O=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone?
The InChIKey is NCUODXILFTXELX-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15/h1-10H,11-14H2/b19-18-.
What are the key properties of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone?
2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone has a molecular weight of 310.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone is sourced from PubChem (CID 921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).