1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride

C15H20ClN3O2S — CID 71783267

IUPAC1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(O)CN1CCN(C(=O)c2nc3ccccc3s2)CC1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11(19)10-17-6-8-18(9-7-17)15(20)14-16-12-4-2-3-5-13(12)21-14;/h2-5,11,19H,6-10H2,1H3;1H
InChIKeySYAACMYORZRGEW-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.86
Rot. Bonds3

About 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride

1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71783267) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71783267
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(O)CN1CCN(C(=O)c2nc3ccccc3s2)CC1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11(19)10-17-6-8-18(9-7-17)15(20)14-16-12-4-2-3-5-13(12)21-14;/h2-5,11,19H,6-10H2,1H3;1H
InChIKeySYAACMYORZRGEW-UHFFFAOYSA-N
XLogP1.86
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
1-[4-(1,3-benzothiazol-2-yldisulfanyl)piperazin-1-yl]propan-2-ol
CID 132988816
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 100816308
1,3-benzothiazol-2-yl-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319372
1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126855118
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897904
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 4803580
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916069

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride (CID 71783267) is 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride is CC(O)CN1CCN(C(=O)c2nc3ccccc3s2)CC1.Cl.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is SYAACMYORZRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-11(19)10-17-6-8-18(9-7-17)15(20)14-16-12-4-2-3-5-13(12)21-14;/h2-5,11,19H,6-10H2,1H3;1H.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride?
1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71783267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).