4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

C11H19N3S — CID 71070914

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C11H19N3S/c1-3-13-4-6-14(7-5-13)8-11-9-15-10(2)12-11/h9H,3-8H2,1-2H3
InChIKeyAYSYWUZSXPSGFE-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.59
Rot. Bonds3

About 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 71070914) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID71070914
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C11H19N3S/c1-3-13-4-6-14(7-5-13)8-11-9-15-10(2)12-11/h9H,3-8H2,1-2H3
InChIKeyAYSYWUZSXPSGFE-UHFFFAOYSA-N
XLogP1.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (CID 71070914) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is CCN1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is AYSYWUZSXPSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-13-4-6-14(7-5-13)8-11-9-15-10(2)12-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 71070914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).