4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine

C17H25N3S — CID 135965275

IUPAC4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C/N=C1/NC(c2ccccc2)CS1)N1CCCCC1
InChIInChI=1S/C17H25N3S/c1-14(20-10-6-3-7-11-20)12-18-17-19-16(13-21-17)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,19)
InChIKeyKHBJXQZPMMIYDO-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.29
Rot. Bonds4

About 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine

4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 135965275) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
PubChem CID135965275
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C/N=C1/NC(c2ccccc2)CS1)N1CCCCC1
InChIInChI=1S/C17H25N3S/c1-14(20-10-6-3-7-11-20)12-18-17-19-16(13-21-17)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,19)
InChIKeyKHBJXQZPMMIYDO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135965315
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136701825
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965234
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136883428
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965124
2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135965211
N-[3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propyl]methanesulfonamide
CID 136784814
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane
CID 64945308

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine (CID 135965275) is 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine is CC(C/N=C1/NC(c2ccccc2)CS1)N1CCCCC1.
What is the InChIKey of 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is KHBJXQZPMMIYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-14(20-10-6-3-7-11-20)12-18-17-19-16(13-21-17)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,19).
What are the key properties of 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine?
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 303.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135965275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).