2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

C20H21FN3O2S+ — CID 7508067

IUPAC2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESCC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(25)14-7-9-15(10-8-14)19(26)24(12-11-23(2)3)20-22-18-16(21)5-4-6-17(18)27-20/h4-10H,11-12H2,1-3H3/p+1
InChIKeySRWIDNYGIWNBIW-UHFFFAOYSA-O
MW386.47 g/mol
LogP2.43
Rot. Bonds6

About 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (PubChem CID 7508067) has the molecular formula C20H21FN3O2S+ and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
PubChem CID7508067
Molecular FormulaC20H21FN3O2S+
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESCC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(25)14-7-9-15(10-8-14)19(26)24(12-11-23(2)3)20-22-18-16(21)5-4-6-17(18)27-20/h4-10H,11-12H2,1-3H3/p+1
InChIKeySRWIDNYGIWNBIW-UHFFFAOYSA-O
XLogP2.43
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208834
3-[benzoyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208828
2-[(4-acetylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7208174
2-[(4-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507771
2-[(2-chlorobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7508037
3-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]propyl-dimethylazanium
CID 7512419
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
4-bromo-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926100
2-[(4-chlorobenzoyl)-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7511088
2-[(4-acetylbenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511547
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 43958787
3-[(4-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (CID 7508067) is 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1.
What is the InChIKey of 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The InChIKey is SRWIDNYGIWNBIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(25)14-7-9-15(10-8-14)19(26)24(12-11-23(2)3)20-22-18-16(21)5-4-6-17(18)27-20/h4-10H,11-12H2,1-3H3/p+1.
What are the key properties of 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium has a molecular weight of 386.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7508067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).