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

C10H18ClN3S — CID 120906200

IUPAC5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCC1CN(Cc2cncs2)C(C)CN1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-8-5-13(9(2)3-12-8)6-10-4-11-7-14-10;/h4,7-9,12H,3,5-6H2,1-2H3;1H
InChIKeyGVZSODBKBVGSNA-UHFFFAOYSA-N
MW247.79 g/mol
LogP1.75
Rot. Bonds2

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

5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120906200) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120906200
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCC1CN(Cc2cncs2)C(C)CN1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-8-5-13(9(2)3-12-8)6-10-4-11-7-14-10;/h4,7-9,12H,3,5-6H2,1-2H3;1H
InChIKeyGVZSODBKBVGSNA-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120906200) is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is CC1CN(Cc2cncs2)C(C)CN1.Cl.
What is the InChIKey of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is GVZSODBKBVGSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.ClH/c1-8-5-13(9(2)3-12-8)6-10-4-11-7-14-10;/h4,7-9,12H,3,5-6H2,1-2H3;1H.
What are the key properties of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120906200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).