2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

C19H21FN3O2S+ — CID 7510632

IUPAC2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESCOc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H20FN3O2S/c1-22(2)10-11-23(18(24)13-4-6-14(20)7-5-13)19-21-16-12-15(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3/p+1
InChIKeyODNJGFCNJLXZAW-UHFFFAOYSA-O
MW374.46 g/mol
LogP2.24
Rot. Bonds6

About 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (PubChem CID 7510632) has the molecular formula C19H21FN3O2S+ and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
PubChem CID7510632
Molecular FormulaC19H21FN3O2S+
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESCOc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H20FN3O2S/c1-22(2)10-11-23(18(24)13-4-6-14(20)7-5-13)19-21-16-12-15(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3/p+1
InChIKeyODNJGFCNJLXZAW-UHFFFAOYSA-O
XLogP2.24
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7510633
2-[(2-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7510682
2-[acetyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7208286
2-[(4-ethoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507385
2-[(4-tert-butylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507378
N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512597
2-[(4-butoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507341
N-[2-(diethylamino)ethyl]-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511231
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 18563836
N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44924341
3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]propyl-dimethylazanium
CID 7512180
4-tert-butyl-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926688

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (CID 7510632) is 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The InChIKey is ODNJGFCNJLXZAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20FN3O2S/c1-22(2)10-11-23(18(24)13-4-6-14(20)7-5-13)19-21-16-12-15(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3/p+1.
What are the key properties of 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium has a molecular weight of 374.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7510632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).