3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium

C20H23ClN3OS+ — CID 7208534

IUPAC3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
SMILESCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C20H22ClN3OS/c1-14-8-9-17-18(12-14)26-20(22-17)24(11-5-10-23(2)3)19(25)15-6-4-7-16(21)13-15/h4,6-9,12-13H,5,10-11H2,1-3H3/p+1
InChIKeyJWLIAORGEOOOHO-UHFFFAOYSA-O
MW388.94 g/mol
LogP3.44
Rot. Bonds6

About 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium

3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium (PubChem CID 7208534) has the molecular formula C20H23ClN3OS+ and a molecular weight of 388.94 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
PubChem CID7208534
Molecular FormulaC20H23ClN3OS+
Molecular Weight388.94 g/mol
Exact Mass388.12
IUPAC Name3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
SMILESCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C20H22ClN3OS/c1-14-8-9-17-18(12-14)26-20(22-17)24(11-5-10-23(2)3)19(25)15-6-4-7-16(21)13-15/h4,6-9,12-13H,5,10-11H2,1-3H3/p+1
InChIKeyJWLIAORGEOOOHO-UHFFFAOYSA-O
XLogP3.44
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium with MolForge

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Related Compounds

3-[[4-(dimethylamino)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7162474
3-[1,3-benzothiazole-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208586
3-[(2,5-dimethylbenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208594
3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]propyl-dimethylazanium
CID 7512180
2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507220
dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]propyl]azanium
CID 7208577
N-[3-(dimethylamino)propyl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16798992
3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-chlorothiophene-2-carbonyl)amino]propyl-dimethylazanium
CID 7512184
2-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-dimethylazanium
CID 7507673
3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
CID 7208705
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(6-bromo-1,3-benzothiazol-2-yl)-3-chloro-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923323

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium (CID 7208534) is 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium is Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(Cl)c3)sc2c1.
What is the InChIKey of 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium?
The InChIKey is JWLIAORGEOOOHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22ClN3OS/c1-14-8-9-17-18(12-14)26-20(22-17)24(11-5-10-23(2)3)19(25)15-6-4-7-16(21)13-15/h4,6-9,12-13H,5,10-11H2,1-3H3/p+1.
What are the key properties of 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium?
3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium has a molecular weight of 388.94 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium is sourced from PubChem (CID 7208534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).