6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride

C15H22ClN3S — CID 120843286

IUPAC6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
SMILESCc1nc2ccc(CN3CCNC(C)C3C)cc2s1.Cl
InChIInChI=1S/C15H21N3S.ClH/c1-10-11(2)18(7-6-16-10)9-13-4-5-14-15(8-13)19-12(3)17-14;/h4-5,8,10-11,16H,6-7,9H2,1-3H3;1H
InChIKeyMEWYHIRLMFMMPL-UHFFFAOYSA-N
MW311.88 g/mol
LogP3.21
Rot. Bonds2

About 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride

6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride (PubChem CID 120843286) has the molecular formula C15H22ClN3S and a molecular weight of 311.88 g/mol. Its IUPAC name is 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
PubChem CID120843286
Molecular FormulaC15H22ClN3S
Molecular Weight311.88 g/mol
Exact Mass311.12
IUPAC Name6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
SMILESCc1nc2ccc(CN3CCNC(C)C3C)cc2s1.Cl
InChIInChI=1S/C15H21N3S.ClH/c1-10-11(2)18(7-6-16-10)9-13-4-5-14-15(8-13)19-12(3)17-14;/h4-5,8,10-11,16H,6-7,9H2,1-3H3;1H
InChIKeyMEWYHIRLMFMMPL-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride (CID 120843286) is 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride is Cc1nc2ccc(CN3CCNC(C)C3C)cc2s1.Cl.
What is the InChIKey of 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride?
The InChIKey is MEWYHIRLMFMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S.ClH/c1-10-11(2)18(7-6-16-10)9-13-4-5-14-15(8-13)19-12(3)17-14;/h4-5,8,10-11,16H,6-7,9H2,1-3H3;1H.
What are the key properties of 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride?
6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 120843286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).