5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one

C14H17N3O2S — CID 21278892

IUPAC5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESCc1ccc2sc(=O)n(CC(=O)N3CCNCC3)c2c1
InChIInChI=1S/C14H17N3O2S/c1-10-2-3-12-11(8-10)17(14(19)20-12)9-13(18)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyVUFAPOLHIQCRIB-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.80
Rot. Bonds2

About 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one

5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one (PubChem CID 21278892) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
PubChem CID21278892
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESCc1ccc2sc(=O)n(CC(=O)N3CCNCC3)c2c1
InChIInChI=1S/C14H17N3O2S/c1-10-2-3-12-11(8-10)17(14(19)20-12)9-13(18)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyVUFAPOLHIQCRIB-UHFFFAOYSA-N
XLogP0.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
CID 119403331
N'-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]ethanimidamide
CID 54550518
3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 807438
N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
CID 21278887
3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 21278839
1-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]propan-2-yl acetate
CID 154109536
2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 59473847
3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-one
CID 53007192
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 14221219
3,5-dimethyl-1,3-benzothiazol-2-one
CID 59568555
5-chloro-3-[2-[4-[[(3,4-dichlorophenyl)methylamino]methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one
CID 139886590

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one (CID 21278892) is 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one is Cc1ccc2sc(=O)n(CC(=O)N3CCNCC3)c2c1.
What is the InChIKey of 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one?
The InChIKey is VUFAPOLHIQCRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-2-3-12-11(8-10)17(14(19)20-12)9-13(18)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one?
5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one has a molecular weight of 291.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 21278892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).