ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate

C17H20N4O4S — CID 46358834

IUPACethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C17H20N4O4S/c1-2-25-14(22)11-18-17(24)21-9-7-20(8-10-21)16(23)15-12-5-3-4-6-13(12)26-19-15/h3-6H,2,7-11H2,1H3,(H,18,24)
InChIKeyIDLGHVSXVQBNJS-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate

ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate (PubChem CID 46358834) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate
PubChem CID46358834
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Nameethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C17H20N4O4S/c1-2-25-14(22)11-18-17(24)21-9-7-20(8-10-21)16(23)15-12-5-3-4-6-13(12)26-19-15/h3-6H,2,7-11H2,1H3,(H,18,24)
InChIKeyIDLGHVSXVQBNJS-UHFFFAOYSA-N
XLogP1.33
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 46358838
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 46321793
1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
N-(1-adamantyl)-4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 50805019
N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 46358866
ethyl 2-[[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carbonyl]amino]acetate
CID 3044287
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone
CID 167845759
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate (CID 46358834) is ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate?
The InChIKey is IDLGHVSXVQBNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-2-25-14(22)11-18-17(24)21-9-7-20(8-10-21)16(23)15-12-5-3-4-6-13(12)26-19-15/h3-6H,2,7-11H2,1H3,(H,18,24).
What are the key properties of ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate has a molecular weight of 376.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 46358834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).