N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

C21H28ClN3O3S2 — CID 44919627

IUPACN-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(OC)ccc(OC)c2s1.Cl
InChIInChI=1S/C21H27N3O3S2.ClH/c1-5-23(6-2)11-12-24(18(25)14-15-8-7-13-28-15)21-22-19-16(26-3)9-10-17(27-4)20(19)29-21;/h7-10,13H,5-6,11-12,14H2,1-4H3;1H
InChIKeyRDGAAYYGAKQVGY-UHFFFAOYSA-N
MW470.06 g/mol
LogP4.71
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 44919627) has the molecular formula C21H28ClN3O3S2 and a molecular weight of 470.06 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID44919627
Molecular FormulaC21H28ClN3O3S2
Molecular Weight470.06 g/mol
Exact Mass469.13
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(OC)ccc(OC)c2s1.Cl
InChIInChI=1S/C21H27N3O3S2.ClH/c1-5-23(6-2)11-12-24(18(25)14-15-8-7-13-28-15)21-22-19-16(26-3)9-10-17(27-4)20(19)29-21;/h7-10,13H,5-6,11-12,14H2,1-4H3;1H
InChIKeyRDGAAYYGAKQVGY-UHFFFAOYSA-N
XLogP4.71
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.06
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41341180
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 44991441
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 43961651
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341316
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide
CID 41341376
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44919550
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 44919615
2-bromo-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44927192
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41346714
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 44927546
N-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44927448
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
CID 44927226

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (CID 44919627) is N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is CCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(OC)ccc(OC)c2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is RDGAAYYGAKQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2.ClH/c1-5-23(6-2)11-12-24(18(25)14-15-8-7-13-28-15)21-22-19-16(26-3)9-10-17(27-4)20(19)29-21;/h7-10,13H,5-6,11-12,14H2,1-4H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 470.06 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 44919627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).