N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

C19H22ClF2N3OS2 — CID 44919615

IUPACN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(F)cc(F)cc2s1.Cl
InChIInChI=1S/C19H21F2N3OS2.ClH/c1-3-23(4-2)7-8-24(17(25)12-14-6-5-9-26-14)19-22-18-15(21)10-13(20)11-16(18)27-19;/h5-6,9-11H,3-4,7-8,12H2,1-2H3;1H
InChIKeyIEJZUYNIQJFKIW-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 44919615) has the molecular formula C19H22ClF2N3OS2 and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID44919615
Molecular FormulaC19H22ClF2N3OS2
Molecular Weight445.99 g/mol
Exact Mass445.09
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(F)cc(F)cc2s1.Cl
InChIInChI=1S/C19H21F2N3OS2.ClH/c1-3-23(4-2)7-8-24(17(25)12-14-6-5-9-26-14)19-22-18-15(21)10-13(20)11-16(18)27-19;/h5-6,9-11H,3-4,7-8,12H2,1-2H3;1H
InChIKeyIEJZUYNIQJFKIW-UHFFFAOYSA-N
XLogP4.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341316
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide
CID 43961543
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 30515997
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-fluorobenzamide;hydrochloride
CID 44927371
5-bromo-N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44927327
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 44919627
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341244
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 27637974
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide;hydrochloride
CID 44928351
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide;hydrochloride
CID 44937756
3-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)propanamide
CID 43962802
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethylsulfanylbenzamide;hydrochloride
CID 44928359

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride (CID 44919615) is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is CCN(CC)CCN(C(=O)Cc1cccs1)c1nc2c(F)cc(F)cc2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is IEJZUYNIQJFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3OS2.ClH/c1-3-23(4-2)7-8-24(17(25)12-14-6-5-9-26-14)19-22-18-15(21)10-13(20)11-16(18)27-19;/h5-6,9-11H,3-4,7-8,12H2,1-2H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride?
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 445.99 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 44919615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).