4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine

C15H29N3S — CID 135977051

IUPAC4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCN1CCC(C/N=C2/NC(CC)(CC)CS2)CC1
InChIInChI=1S/C15H29N3S/c1-4-15(5-2)12-19-14(17-15)16-11-13-7-9-18(6-3)10-8-13/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyYTQGBMXPIKCQST-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds5

About 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine

4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 135977051) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID135977051
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCN1CCC(C/N=C2/NC(CC)(CC)CS2)CC1
InChIInChI=1S/C15H29N3S/c1-4-15(5-2)12-19-14(17-15)16-11-13-7-9-18(6-3)10-8-13/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyYTQGBMXPIKCQST-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine (CID 135977051) is 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine is CCN1CCC(C/N=C2/NC(CC)(CC)CS2)CC1.
What is the InChIKey of 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is YTQGBMXPIKCQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-4-15(5-2)12-19-14(17-15)16-11-13-7-9-18(6-3)10-8-13/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine?
4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135977051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).