3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium

C17H19ClN3O2S+ — CID 7208705

IUPAC3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H18ClN3O2S/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3/p+1
InChIKeyHRWZLSGNASCXOO-UHFFFAOYSA-O
MW364.88 g/mol
LogP2.72
Rot. Bonds6

About 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium

3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium (PubChem CID 7208705) has the molecular formula C17H19ClN3O2S+ and a molecular weight of 364.88 g/mol. Its IUPAC name is 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
PubChem CID7208705
Molecular FormulaC17H19ClN3O2S+
Molecular Weight364.88 g/mol
Exact Mass364.09
IUPAC Name3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H18ClN3O2S/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3/p+1
InChIKeyHRWZLSGNASCXOO-UHFFFAOYSA-O
XLogP2.72
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium with MolForge

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Related Compounds

3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-chlorothiophene-2-carbonyl)amino]propyl-dimethylazanium
CID 7512184
3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]propyl-dimethylazanium
CID 7512180
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 16824180
3-[(3-chlorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208534
3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
CID 7208930
3-[(6-chloro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl-dimethylazanium
CID 7577059
2-[(4-acetylbenzoyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7208068
2-[(6-chloro-1,3-benzothiazol-2-yl)-(5-chlorothiophene-2-carbonyl)amino]ethyl-dimethylazanium
CID 7208074
3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethylazanium
CID 7208712
3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethylazanium
CID 7512263
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 16808541
3-[1,3-benzothiazol-2-yl-(5-chloro-2-nitrobenzoyl)amino]propyl-dimethylazanium
CID 7577501

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium (CID 7208705) is 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium is C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The InChIKey is HRWZLSGNASCXOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClN3O2S/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3/p+1.
What are the key properties of 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium has a molecular weight of 364.88 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium is sourced from PubChem (CID 7208705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).