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

C14H20ClN3S2 — CID 120906277

IUPAC4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
SMILESCC1CN(Cc2csc(-c3cccs3)n2)C(C)CN1.Cl
InChIInChI=1S/C14H19N3S2.ClH/c1-10-7-17(11(2)6-15-10)8-12-9-19-14(16-12)13-4-3-5-18-13;/h3-5,9-11,15H,6-8H2,1-2H3;1H
InChIKeyJLXNGGDXBMULDT-UHFFFAOYSA-N
MW329.92 g/mol
LogP3.48
Rot. Bonds3

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

4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride (PubChem CID 120906277) has the molecular formula C14H20ClN3S2 and a molecular weight of 329.92 g/mol. Its IUPAC name is 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
PubChem CID120906277
Molecular FormulaC14H20ClN3S2
Molecular Weight329.92 g/mol
Exact Mass329.08
IUPAC Name4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
SMILESCC1CN(Cc2csc(-c3cccs3)n2)C(C)CN1.Cl
InChIInChI=1S/C14H19N3S2.ClH/c1-10-7-17(11(2)6-15-10)8-12-9-19-14(16-12)13-4-3-5-18-13;/h3-5,9-11,15H,6-8H2,1-2H3;1H
InChIKeyJLXNGGDXBMULDT-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride (CID 120906277) is 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride is CC1CN(Cc2csc(-c3cccs3)n2)C(C)CN1.Cl.
What is the InChIKey of 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is JLXNGGDXBMULDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2.ClH/c1-10-7-17(11(2)6-15-10)8-12-9-19-14(16-12)13-4-3-5-18-13;/h3-5,9-11,15H,6-8H2,1-2H3;1H.
What are the key properties of 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride?
4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 329.92 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120906277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).