N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine

C12H22N2S — CID 135934589

IUPACN-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/C2CCCCCCC2)N1
InChIInChI=1S/C12H22N2S/c1-10-9-15-12(13-10)14-11-7-5-3-2-4-6-8-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyKQIRCLHGDRBMIH-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.18
Rot. Bonds1

About N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine

N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934589) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934589
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/C2CCCCCCC2)N1
InChIInChI=1S/C12H22N2S/c1-10-9-15-12(13-10)14-11-7-5-3-2-4-6-8-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyKQIRCLHGDRBMIH-UHFFFAOYSA-N
XLogP3.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934531
4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine
CID 137000795
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
4-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-thiazolidin-2-imine
CID 136811861
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756994
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine
CID 136696675
4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine
CID 136778351
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
CID 136952786
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine (CID 135934589) is N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine is CC1CS/C(=N/C2CCCCCCC2)N1.
What is the InChIKey of N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is KQIRCLHGDRBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10-9-15-12(13-10)14-11-7-5-3-2-4-6-8-11/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine?
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).