2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium

C16H24N3OS+ — CID 7511144

IUPAC2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(C)=O)c1nc2ccc(C)cc2s1
InChIInChI=1S/C16H23N3OS/c1-5-18(6-2)9-10-19(13(4)20)16-17-14-8-7-12(3)11-15(14)21-16/h7-8,11H,5-6,9-10H2,1-4H3/p+1
InChIKeyXZHXUIHACTYNTD-UHFFFAOYSA-O
MW306.46 g/mol
LogP1.88
Rot. Bonds6

About 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium

2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium (PubChem CID 7511144) has the molecular formula C16H24N3OS+ and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
PubChem CID7511144
Molecular FormulaC16H24N3OS+
Molecular Weight306.46 g/mol
Exact Mass306.16
IUPAC Name2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(C)=O)c1nc2ccc(C)cc2s1
InChIInChI=1S/C16H23N3OS/c1-5-18(6-2)9-10-19(13(4)20)16-17-14-8-7-12(3)11-15(14)21-16/h7-8,11H,5-6,9-10H2,1-4H3/p+1
InChIKeyXZHXUIHACTYNTD-UHFFFAOYSA-O
XLogP1.88
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511318
2-[acetyl([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)amino]ethyl-diethylazanium
CID 7511718
2-[(2,4-dimethylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511279
2-[(2,4-dimethylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511316
2-[(2-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511328
2-[(2-chlorobenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511226
2-[1,3-benzothiazol-2-yl(2,2-dimethylpropanoyl)amino]ethyl-diethylazanium
CID 7294759
2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl-diethylazanium
CID 7511394
2-[[4-(dimethylamino)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7489865
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7511319
N-[2-(dimethylamino)ethyl]-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7507195
2-[1,3-benzothiazol-2-yl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium
CID 7576992

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The IUPAC name of 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium (CID 7511144) is 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The canonical SMILES for 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium is CC[NH+](CC)CCN(C(C)=O)c1nc2ccc(C)cc2s1.
What is the InChIKey of 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The InChIKey is XZHXUIHACTYNTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3OS/c1-5-18(6-2)9-10-19(13(4)20)16-17-14-8-7-12(3)11-15(14)21-16/h7-8,11H,5-6,9-10H2,1-4H3/p+1.
What are the key properties of 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium has a molecular weight of 306.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium is sourced from PubChem (CID 7511144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).