1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine

C11H18N4S — CID 2308583

IUPAC1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
SMILESCCN1CCN(C=Nc2nc(C)cs2)CC1
InChIInChI=1S/C11H18N4S/c1-3-14-4-6-15(7-5-14)9-12-11-13-10(2)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyGCJKLLKTXJDCLZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine

1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine (PubChem CID 2308583) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
PubChem CID2308583
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
SMILESCCN1CCN(C=Nc2nc(C)cs2)CC1
InChIInChI=1S/C11H18N4S/c1-3-14-4-6-15(7-5-14)9-12-11-13-10(2)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyGCJKLLKTXJDCLZ-UHFFFAOYSA-N
XLogP1.75
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine (CID 2308583) is 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine is CCN1CCN(C=Nc2nc(C)cs2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The InChIKey is GCJKLLKTXJDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-14-4-6-15(7-5-14)9-12-11-13-10(2)8-16-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine has a molecular weight of 238.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 2308583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).