4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole

C14H19N3S2 — CID 63873907

IUPAC4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCC1CN(Cc2csc(-c3ccsc3)n2)CC(C)N1
InChIInChI=1S/C14H19N3S2/c1-10-5-17(6-11(2)15-10)7-13-9-19-14(16-13)12-3-4-18-8-12/h3-4,8-11,15H,5-7H2,1-2H3
InChIKeyKMZNDMFTOVGAOV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.05
Rot. Bonds3

About 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole

4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 63873907) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID63873907
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCC1CN(Cc2csc(-c3ccsc3)n2)CC(C)N1
InChIInChI=1S/C14H19N3S2/c1-10-5-17(6-11(2)15-10)7-13-9-19-14(16-13)12-3-4-18-8-12/h3-4,8-11,15H,5-7H2,1-2H3
InChIKeyKMZNDMFTOVGAOV-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-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-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole (CID 63873907) is 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole is CC1CN(Cc2csc(-c3ccsc3)n2)CC(C)N1.
What is the InChIKey of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is KMZNDMFTOVGAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10-5-17(6-11(2)15-10)7-13-9-19-14(16-13)12-3-4-18-8-12/h3-4,8-11,15H,5-7H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 293.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 63873907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).