N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

C20H26ClN3O2S2 — CID 44919607

IUPACN-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCOc1cccc2sc(N(CCCN(C)C)C(=O)Cc3cccs3)nc12.Cl
InChIInChI=1S/C20H25N3O2S2.ClH/c1-4-25-16-9-5-10-17-19(16)21-20(27-17)23(12-7-11-22(2)3)18(24)14-15-8-6-13-26-15;/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3;1H
InChIKeyIRVMKOWQMCLJHM-UHFFFAOYSA-N
MW440.03 g/mol
LogP4.71
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 44919607) has the molecular formula C20H26ClN3O2S2 and a molecular weight of 440.03 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID44919607
Molecular FormulaC20H26ClN3O2S2
Molecular Weight440.03 g/mol
Exact Mass439.12
IUPAC NameN-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCOc1cccc2sc(N(CCCN(C)C)C(=O)Cc3cccs3)nc12.Cl
InChIInChI=1S/C20H25N3O2S2.ClH/c1-4-25-16-9-5-10-17-19(16)21-20(27-17)23(12-7-11-22(2)3)18(24)14-15-8-6-13-26-15;/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3;1H
InChIKeyIRVMKOWQMCLJHM-UHFFFAOYSA-N
XLogP4.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.03
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide chloride
CID 53351116
N-[2-(dimethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341290
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 78494435
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919608
N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930385
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide;hydrochloride
CID 44930384
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide
CID 41341372
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide;hydrochloride
CID 18581467
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 7512408
4-chloro-N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512370
N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 16799131
methyl 4-[3-(dimethylamino)propyl-(4-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41347537

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (CID 44919607) is N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is CCOc1cccc2sc(N(CCCN(C)C)C(=O)Cc3cccs3)nc12.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is IRVMKOWQMCLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2.ClH/c1-4-25-16-9-5-10-17-19(16)21-20(27-17)23(12-7-11-22(2)3)18(24)14-15-8-6-13-26-15;/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 440.03 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 44919607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).