5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)

C114H126N24S6Y6-6 — CID 161429026

IUPAC5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)
SMILESCc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C20H22N3S.2C19H21N4S.2C18H20N5S.6Y/c2*1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)16(2)17-5-8-20-19(13-17)21-14-24-20;2*1-14-3-6-19(20-12-14)23-9-7-22(8-10-23)15(2)16-4-5-18-17(11-16)21-13-24-18;2*1-13-10-19-18(20-11-13)23-7-5-22(6-8-23)14(2)15-3-4-17-16(9-15)21-12-24-17;;;;;;/h2*3-8,13,16H,9-12H2,1-2H3;2*3-6,11-12,15H,7-10H2,1-2H3;2*3-4,9-11,14H,5-8H2,1-2H3;;;;;;/q6*-1;;;;;;/t2*16-;2*15-;2*14-;;;;;;/m101010....../s1
InChIKeyOIRZKGRSCXIHRE-ZZNGAQKBSA-N
MW2558.27 g/mol
LogP22.08
Rot. Bonds18

About 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)

5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) (PubChem CID 161429026) has the molecular formula C114H126N24S6Y6-6 and a molecular weight of 2558.27 g/mol. Its IUPAC name is 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium).

Molecular Properties

Compound Name5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)
PubChem CID161429026
Molecular FormulaC114H126N24S6Y6-6
Molecular Weight2558.27 g/mol
Exact Mass2556.33
IUPAC Name5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)
SMILESCc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C20H22N3S.2C19H21N4S.2C18H20N5S.6Y/c2*1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)16(2)17-5-8-20-19(13-17)21-14-24-20;2*1-14-3-6-19(20-12-14)23-9-7-22(8-10-23)15(2)16-4-5-18-17(11-16)21-13-24-18;2*1-13-10-19-18(20-11-13)23-7-5-22(6-8-23)14(2)15-3-4-17-16(9-15)21-12-24-17;;;;;;/h2*3-8,13,16H,9-12H2,1-2H3;2*3-6,11-12,15H,7-10H2,1-2H3;2*3-4,9-11,14H,5-8H2,1-2H3;;;;;;/q6*-1;;;;;;/t2*16-;2*15-;2*14-;;;;;;/m101010....../s1
InChIKeyOIRZKGRSCXIHRE-ZZNGAQKBSA-N
XLogP22.08
TPSA193.56 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002558.27
LogP ≤ 522.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
2-methyl-5-[(1R)-1-[4-(5-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 156777332
5-[1-[4-(5-ethylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-benzothiazole
CID 146414864
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
CID 130377123
imino-methyl-[2-[4-[(1S)-1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-oxo-λ6-sulfane
CID 142414045
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
imino-methyl-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-λ4-sulfane
CID 142414097
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
CID 146414682
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 161239383
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane
CID 142413992

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)?
The IUPAC name of 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) (CID 161429026) is 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium).
What is the SMILES notation for 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)?
The canonical SMILES for 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) is Cc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)cc1.Cc1ccc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.Cc1cnc(N2CCN([C@H](C)c3ccc4s[c-]nc4c3)CC2)nc1.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)?
The InChIKey is OIRZKGRSCXIHRE-ZZNGAQKBSA-N. The full InChI is InChI=1S/2C20H22N3S.2C19H21N4S.2C18H20N5S.6Y/c2*1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)16(2)17-5-8-20-19(13-17)21-14-24-20;2*1-14-3-6-19(20-12-14)23-9-7-22(8-10-23)15(2)16-4-5-18-17(11-16)21-13-24-18;2*1-13-10-19-18(20-11-13)23-7-5-22(6-8-23)14(2)15-3-4-17-16(9-15)21-12-24-17;;;;;;/h2*3-8,13,16H,9-12H2,1-2H3;2*3-6,11-12,15H,7-10H2,1-2H3;2*3-4,9-11,14H,5-8H2,1-2H3;;;;;;/q6*-1;;;;;;/t2*16-;2*15-;2*14-;;;;;;/m101010....../s1.
What are the key properties of 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)?
5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) has a molecular weight of 2558.27 g/mol, XLogP of 22.08, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium) is sourced from PubChem (CID 161429026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).