2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride

C8H14ClN3S — CID 71639519

IUPAC2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
SMILESCC1CNCCN1c1nccs1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-7-6-9-2-4-11(7)8-10-3-5-12-8;/h3,5,7,9H,2,4,6H2,1H3;1H
InChIKeyVSZRALQNKUBFMW-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.36
Rot. Bonds1

About 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride

2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride (PubChem CID 71639519) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
PubChem CID71639519
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC Name2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
SMILESCC1CNCCN1c1nccs1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-7-6-9-2-4-11(7)8-10-3-5-12-8;/h3,5,7,9H,2,4,6H2,1H3;1H
InChIKeyVSZRALQNKUBFMW-UHFFFAOYSA-N
XLogP1.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride (CID 71639519) is 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride is CC1CNCCN1c1nccs1.Cl.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The InChIKey is VSZRALQNKUBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.ClH/c1-7-6-9-2-4-11(7)8-10-3-5-12-8;/h3,5,7,9H,2,4,6H2,1H3;1H.
What are the key properties of 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71639519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).