4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine

C17H25N3S — CID 135965315

IUPAC4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCC(C)N1CCC(C/N=C2/NC(c3ccccc3)CS2)C1
InChIInChI=1S/C17H25N3S/c1-13(2)20-9-8-14(11-20)10-18-17-19-16(12-21-17)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyVPAWZHYBRDBEPO-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.15
Rot. Bonds4

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

4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 135965315) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID135965315
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCC(C)N1CCC(C/N=C2/NC(c3ccccc3)CS2)C1
InChIInChI=1S/C17H25N3S/c1-13(2)20-9-8-14(11-20)10-18-17-19-16(12-21-17)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyVPAWZHYBRDBEPO-UHFFFAOYSA-N
XLogP3.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.15
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-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine (CID 135965315) is 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine is CC(C)N1CCC(C/N=C2/NC(c3ccccc3)CS2)C1.
What is the InChIKey of 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is VPAWZHYBRDBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13(2)20-9-8-14(11-20)10-18-17-19-16(12-21-17)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19).
What are the key properties of 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine?
4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 303.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).