4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine

C16H22N2OS — CID 135998396

IUPAC4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
SMILESc1ccc(CC2CS/C(=N\CC3CCOCC3)N2)cc1
InChIInChI=1S/C16H22N2OS/c1-2-4-13(5-3-1)10-15-12-20-16(18-15)17-11-14-6-8-19-9-7-14/h1-5,14-15H,6-12H2,(H,17,18)
InChIKeyDLAFGJKPRINAHM-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.72
Rot. Bonds4

About 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine

4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 135998396) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID135998396
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
SMILESc1ccc(CC2CS/C(=N\CC3CCOCC3)N2)cc1
InChIInChI=1S/C16H22N2OS/c1-2-4-13(5-3-1)10-15-12-20-16(18-15)17-11-14-6-8-19-9-7-14/h1-5,14-15H,6-12H2,(H,17,18)
InChIKeyDLAFGJKPRINAHM-UHFFFAOYSA-N
XLogP2.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine (CID 135998396) is 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine is c1ccc(CC2CS/C(=N\CC3CCOCC3)N2)cc1.
What is the InChIKey of 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is DLAFGJKPRINAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-4-13(5-3-1)10-15-12-20-16(18-15)17-11-14-6-8-19-9-7-14/h1-5,14-15H,6-12H2,(H,17,18).
What are the key properties of 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 290.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135998396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).