4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine

C17H19N3S — CID 136981181

IUPAC4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
SMILESCc1ccncc1C/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C17H19N3S/c1-13-7-8-18-10-15(13)11-19-17-20-16(12-21-17)9-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,19,20)
InChIKeyGQGUSZZHCATIIU-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.19
Rot. Bonds4

About 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine

4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136981181) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136981181
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
SMILESCc1ccncc1C/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C17H19N3S/c1-13-7-8-18-10-15(13)11-19-17-20-16(12-21-17)9-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,19,20)
InChIKeyGQGUSZZHCATIIU-UHFFFAOYSA-N
XLogP3.19
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.19
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-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine (CID 136981181) is 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine is Cc1ccncc1C/N=C1/NC(Cc2ccccc2)CS1.
What is the InChIKey of 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is GQGUSZZHCATIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-13-7-8-18-10-15(13)11-19-17-20-16(12-21-17)9-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,19,20).
What are the key properties of 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine?
4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 297.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136981181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).