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

C15H21FN3OS+ — CID 7511318

IUPAC2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(C)=O)c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H20FN3OS/c1-4-18(5-2)8-9-19(11(3)20)15-17-13-7-6-12(16)10-14(13)21-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeyZKDYAOZIBFKMBK-UHFFFAOYSA-O
MW310.42 g/mol
LogP1.71
Rot. Bonds6

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

2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium (PubChem CID 7511318) has the molecular formula C15H21FN3OS+ and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
PubChem CID7511318
Molecular FormulaC15H21FN3OS+
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN(C(C)=O)c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H20FN3OS/c1-4-18(5-2)8-9-19(11(3)20)15-17-13-7-6-12(16)10-14(13)21-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeyZKDYAOZIBFKMBK-UHFFFAOYSA-O
XLogP1.71
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511144
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7511319
2-[[4-(dimethylamino)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7489865
2-[(2-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511328
2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7208434
2-[acetyl([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)amino]ethyl-diethylazanium
CID 7511718
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-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-naphthalen-1-ylacetyl)amino]ethyl-dimethylazanium
CID 7507574
diethyl-[2-[(3-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium
CID 7511466
3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethylazanium
CID 8670596
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 43960448

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The IUPAC name of 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium (CID 7511318) is 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The canonical SMILES for 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium is CC[NH+](CC)CCN(C(C)=O)c1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
The InChIKey is ZKDYAOZIBFKMBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20FN3OS/c1-4-18(5-2)8-9-19(11(3)20)15-17-13-7-6-12(16)10-14(13)21-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1.
What are the key properties of 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium?
2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium has a molecular weight of 310.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium is sourced from PubChem (CID 7511318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).