N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine

C18H28N2S — CID 136701825

IUPACN-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESCC(C)CCCCCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C18H28N2S/c1-15(2)10-6-3-4-9-13-19-18-20-17(14-21-18)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,3-4,6,9-10,13-14H2,1-2H3,(H,19,20)
InChIKeyFNGFKXJDOCLOSG-UHFFFAOYSA-N
MW304.50 g/mol
LogP5.03
Rot. Bonds8

About N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine

N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 136701825) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID136701825
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESCC(C)CCCCCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C18H28N2S/c1-15(2)10-6-3-4-9-13-19-18-20-17(14-21-18)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,3-4,6,9-10,13-14H2,1-2H3,(H,19,20)
InChIKeyFNGFKXJDOCLOSG-UHFFFAOYSA-N
XLogP5.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 55.03
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-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136883428
N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
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
4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135965315
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965124

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine (CID 136701825) is N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine is CC(C)CCCCCC/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is FNGFKXJDOCLOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-15(2)10-6-3-4-9-13-19-18-20-17(14-21-18)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,3-4,6,9-10,13-14H2,1-2H3,(H,19,20).
What are the key properties of N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine?
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 304.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).