2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone

C15H17N3O3S — CID 167845759

IUPAC2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2snc(C(=O)N3CCN(C(=O)CO)CC3)c2c1
InChIInChI=1S/C15H17N3O3S/c1-10-2-3-12-11(8-10)14(16-22-12)15(21)18-6-4-17(5-7-18)13(20)9-19/h2-3,8,19H,4-7,9H2,1H3
InChIKeyIRCYUDABKXKBQZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.88
Rot. Bonds2

About 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone

2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 167845759) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID167845759
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2snc(C(=O)N3CCN(C(=O)CO)CC3)c2c1
InChIInChI=1S/C15H17N3O3S/c1-10-2-3-12-11(8-10)14(16-22-12)15(21)18-6-4-17(5-7-18)13(20)9-19/h2-3,8,19H,4-7,9H2,1H3
InChIKeyIRCYUDABKXKBQZ-UHFFFAOYSA-N
XLogP0.88
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone
CID 138039119
N-[4-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46321838
(5-chloro-1H-indol-2-yl)-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]methanone
CID 53006023
N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 46358866
N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 46358855
[4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone
CID 128523490
(3R,4S)-1-(5-methyl-1,2-benzothiazole-3-carbonyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 128528501
N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
CID 53015451
ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate
CID 46358834
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 46321793
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone (CID 167845759) is 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone is Cc1ccc2snc(C(=O)N3CCN(C(=O)CO)CC3)c2c1.
What is the InChIKey of 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IRCYUDABKXKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-2-3-12-11(8-10)14(16-22-12)15(21)18-6-4-17(5-7-18)13(20)9-19/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 319.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 167845759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).