6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride

C15H22ClN3OS — CID 120906147

IUPAC6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)sc(=O)n3C)C(C)CN1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-10-8-18(11(2)7-16-10)9-12-4-5-13-14(6-12)20-15(19)17(13)3;/h4-6,10-11,16H,7-9H2,1-3H3;1H
InChIKeyIWNIOCZQFYQXKH-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.20
Rot. Bonds2

About 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride

6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride (PubChem CID 120906147) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
PubChem CID120906147
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)sc(=O)n3C)C(C)CN1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-10-8-18(11(2)7-16-10)9-12-4-5-13-14(6-12)20-15(19)17(13)3;/h4-6,10-11,16H,7-9H2,1-3H3;1H
InChIKeyIWNIOCZQFYQXKH-UHFFFAOYSA-N
XLogP2.20
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
CID 24835446
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 120905888
1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine
CID 120906114
2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
CID 120906202
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
6-[[cyclopropyl(pyrrolidin-3-yl)amino]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 120842413
6-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
CID 120847134

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The IUPAC name of 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride (CID 120906147) is 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride.
What is the SMILES notation for 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The canonical SMILES for 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride is CC1CN(Cc2ccc3c(c2)sc(=O)n3C)C(C)CN1.Cl.
What is the InChIKey of 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The InChIKey is IWNIOCZQFYQXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.ClH/c1-10-8-18(11(2)7-16-10)9-12-4-5-13-14(6-12)20-15(19)17(13)3;/h4-6,10-11,16H,7-9H2,1-3H3;1H.
What are the key properties of 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride is sourced from PubChem (CID 120906147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).