N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine

C11H20N2S — CID 135934689

IUPACN-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/CC2CCCCC2)N1
InChIInChI=1S/C11H20N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyUUIYUMXFQRFISF-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds2

About N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine

N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934689) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934689
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/CC2CCCCC2)N1
InChIInChI=1S/C11H20N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyUUIYUMXFQRFISF-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine (CID 135934689) is N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine is CC1CS/C(=N/CC2CCCCC2)N1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is UUIYUMXFQRFISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).