4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine

C13H25N3S — CID 137004296

IUPAC4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCC2CCN(C)CC2)N1
InChIInChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-7-4-11-5-8-16(2)9-6-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyJQTFZENQHCIFHR-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds4

About 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 137004296) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID137004296
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCC2CCN(C)CC2)N1
InChIInChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-7-4-11-5-8-16(2)9-6-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyJQTFZENQHCIFHR-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
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-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine (CID 137004296) is 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCC2CCN(C)CC2)N1.
What is the InChIKey of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is JQTFZENQHCIFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-7-4-11-5-8-16(2)9-6-11/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137004296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).