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

C17H24N2S — CID 136883428

IUPACN-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESc1ccc(C2CS/C(=N\CCCC3CCCC3)N2)cc1
InChIInChI=1S/C17H24N2S/c1-2-10-15(11-3-1)16-13-20-17(19-16)18-12-6-9-14-7-4-5-8-14/h1-3,10-11,14,16H,4-9,12-13H2,(H,18,19)
InChIKeyDKXLWNDNQGTSSO-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.39
Rot. Bonds5

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

N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 136883428) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID136883428
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESc1ccc(C2CS/C(=N\CCCC3CCCC3)N2)cc1
InChIInChI=1S/C17H24N2S/c1-2-10-15(11-3-1)16-13-20-17(19-16)18-12-6-9-14-7-4-5-8-14/h1-3,10-11,14,16H,4-9,12-13H2,(H,18,19)
InChIKeyDKXLWNDNQGTSSO-UHFFFAOYSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136701825
N-[3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propyl]methanesulfonamide
CID 136784814
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965234
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135965315
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-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 137000525

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine (CID 136883428) is N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine is c1ccc(C2CS/C(=N\CCCC3CCCC3)N2)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is DKXLWNDNQGTSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-10-15(11-3-1)16-13-20-17(19-16)18-12-6-9-14-7-4-5-8-14/h1-3,10-11,14,16H,4-9,12-13H2,(H,18,19).
What are the key properties of N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine?
N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 288.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).