2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium

C18H28N3OS+ — CID 7294759

IUPAC2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(=O)C(C)(C)C)c1nc2ccccc2s1
InChIInChI=1S/C18H27N3OS/c1-6-20(7-2)12-13-21(16(22)18(3,4)5)17-19-14-10-8-9-11-15(14)23-17/h8-11H,6-7,12-13H2,1-5H3/p+1
InChIKeyILRNHKCFNYXJLN-UHFFFAOYSA-O
MW334.51 g/mol
LogP2.60
Rot. Bonds6

About 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium

2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium (PubChem CID 7294759) has the molecular formula C18H28N3OS+ and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium
PubChem CID7294759
Molecular FormulaC18H28N3OS+
Molecular Weight334.51 g/mol
Exact Mass334.19
IUPAC Name2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(=O)C(C)(C)C)c1nc2ccccc2s1
InChIInChI=1S/C18H27N3OS/c1-6-20(7-2)12-13-21(16(22)18(3,4)5)17-19-14-10-8-9-11-15(14)23-17/h8-11H,6-7,12-13H2,1-5H3/p+1
InChIKeyILRNHKCFNYXJLN-UHFFFAOYSA-O
XLogP2.60
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium 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

2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-diethylazanium
CID 7577344
2-[1,3-benzothiazol-2-yl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium
CID 7576992
2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511144
2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511318
2-[(2-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511328
3-[1,3-benzothiazol-2-yl(2-methylpropanoyl)amino]propyl-dimethylazanium
CID 7577510
2-[1,3-benzothiazol-2-yl-(2-phenylacetyl)amino]ethyl-dimethylazanium
CID 7294716
2-[(2-chlorobenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511226
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
2-[6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl-(2-phenylacetyl)amino]ethyl-diethylazanium
CID 7511758
2-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium
CID 8718648
2-[1,3-benzothiazol-2-yl-(2,4-dimethylbenzoyl)amino]ethyl-dimethylazanium
CID 7577330

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium (CID 7294759) is 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium is CC[NH+](CC)CCN(C(=O)C(C)(C)C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium?
The InChIKey is ILRNHKCFNYXJLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3OS/c1-6-20(7-2)12-13-21(16(22)18(3,4)5)17-19-14-10-8-9-11-15(14)23-17/h8-11H,6-7,12-13H2,1-5H3/p+1.
What are the key properties of 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium?
2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium has a molecular weight of 334.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium is sourced from PubChem (CID 7294759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).