N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine

C16H22N2S — CID 136867439

IUPACN-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCC1CCCC1C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C16H22N2S/c1-12-6-5-9-14(12)10-17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyHCLYJOXRBPLZHK-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.86
Rot. Bonds3

About N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine

N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 136867439) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID136867439
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCC1CCCC1C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C16H22N2S/c1-12-6-5-9-14(12)10-17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyHCLYJOXRBPLZHK-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine (CID 136867439) is N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine is CC1CCCC1C/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is HCLYJOXRBPLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-6-5-9-14(12)10-17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 274.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136867439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).