3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium

C19H24N3O2S+ — CID 7208930

IUPAC3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
SMILESCc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3/p+1
InChIKeyQYSBTMVSMKVLFI-UHFFFAOYSA-O
MW358.49 g/mol
LogP2.69
Rot. Bonds6

About 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium

3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium (PubChem CID 7208930) has the molecular formula C19H24N3O2S+ and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
PubChem CID7208930
Molecular FormulaC19H24N3O2S+
Molecular Weight358.49 g/mol
Exact Mass358.16
IUPAC Name3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
SMILESCc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3/p+1
InChIKeyQYSBTMVSMKVLFI-UHFFFAOYSA-O
XLogP2.69
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium with MolForge

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Related Compounds

3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium
CID 7580394
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 40519434
3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
CID 7208705
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethylazanium
CID 7510746
3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethylazanium
CID 7512678
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 30712031
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7615737
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615851
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2,4-dimethylbenzoyl)amino]ethyl-dimethylazanium
CID 7510784
N-[3-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 30698934
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
CID 16808818
2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7510757

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium (CID 7208930) is 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium is Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc2c1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
The InChIKey is QYSBTMVSMKVLFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3/p+1.
What are the key properties of 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium?
3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium has a molecular weight of 358.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium is sourced from PubChem (CID 7208930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).