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

C17H19Cl2N3OS2 — CID 44919608

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCN(C)CCN(C(=O)Cc1cccs1)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C17H18ClN3OS2.ClH/c1-20(2)8-9-21(15(22)11-12-5-4-10-23-12)17-19-16-13(18)6-3-7-14(16)24-17;/h3-7,10H,8-9,11H2,1-2H3;1H
InChIKeyQCHRRDHRWDPIQS-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.57
Rot. Bonds6

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

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 44919608) has the molecular formula C17H19Cl2N3OS2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID44919608
Molecular FormulaC17H19Cl2N3OS2
Molecular Weight416.40 g/mol
Exact Mass415.03
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCN(C)CCN(C(=O)Cc1cccs1)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C17H18ClN3OS2.ClH/c1-20(2)8-9-21(15(22)11-12-5-4-10-23-12)17-19-16-13(18)6-3-7-14(16)24-17;/h3-7,10H,8-9,11H2,1-2H3;1H
InChIKeyQCHRRDHRWDPIQS-UHFFFAOYSA-N
XLogP4.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341290
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide
CID 41341372
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 44919607
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919587
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
CID 7512489
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 44930547
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide;hydrochloride
CID 44923991
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341316
2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44919493
5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 7208246
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919589
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 16808409

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride (CID 44919608) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride is CN(C)CCN(C(=O)Cc1cccs1)c1nc2c(Cl)cccc2s1.Cl.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is QCHRRDHRWDPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS2.ClH/c1-20(2)8-9-21(15(22)11-12-5-4-10-23-12)17-19-16-13(18)6-3-7-14(16)24-17;/h3-7,10H,8-9,11H2,1-2H3;1H.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 416.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 44919608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).