N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine

C16H30N2S — CID 135977074

IUPACN-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC(/N=C1/NC(CC)(CC)CS1)C1CCCCC1
InChIInChI=1S/C16H30N2S/c1-4-14(13-10-8-7-9-11-13)17-15-18-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyRZYORBCYDVHWJV-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.60
Rot. Bonds5

About N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine

N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 135977074) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID135977074
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC(/N=C1/NC(CC)(CC)CS1)C1CCCCC1
InChIInChI=1S/C16H30N2S/c1-4-14(13-10-8-7-9-11-13)17-15-18-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyRZYORBCYDVHWJV-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.60
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-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (CID 135977074) is N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is CCC(/N=C1/NC(CC)(CC)CS1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is RZYORBCYDVHWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-4-14(13-10-8-7-9-11-13)17-15-18-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 282.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135977074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).