2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone

C19H20N4O2S — CID 136548797

IUPAC2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cnccc1N1CCN(C(=O)Cc2nsc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-25-17-13-20-7-6-16(17)22-8-10-23(11-9-22)19(24)12-15-14-4-2-3-5-18(14)26-21-15/h2-7,13H,8-12H2,1H3
InChIKeyVJHCTJSCUJLUGE-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.59
Rot. Bonds4

About 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone

2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 136548797) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
PubChem CID136548797
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cnccc1N1CCN(C(=O)Cc2nsc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-25-17-13-20-7-6-16(17)22-8-10-23(11-9-22)19(24)12-15-14-4-2-3-5-18(14)26-21-15/h2-7,13H,8-12H2,1H3
InChIKeyVJHCTJSCUJLUGE-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone
CID 128890766
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
CID 167803049
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9034088
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110697885
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146040720
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 46321793
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone (CID 136548797) is 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone is COc1cnccc1N1CCN(C(=O)Cc2nsc3ccccc23)CC1.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is VJHCTJSCUJLUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-17-13-20-7-6-16(17)22-8-10-23(11-9-22)19(24)12-15-14-4-2-3-5-18(14)26-21-15/h2-7,13H,8-12H2,1H3.
What are the key properties of 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone?
2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 368.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136548797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).