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

C24H25Cl2N3OS — CID 44930547

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCN(C)CCCN(C(=O)Cc1cccc2ccccc12)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C24H24ClN3OS.ClH/c1-27(2)14-7-15-28(24-26-23-20(25)12-6-13-21(23)30-24)22(29)16-18-10-5-9-17-8-3-4-11-19(17)18;/h3-6,8-13H,7,14-16H2,1-2H3;1H
InChIKeyUYIIWBLJTRXYRW-UHFFFAOYSA-N
MW474.46 g/mol
LogP6.05
Rot. Bonds7

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

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 44930547) has the molecular formula C24H25Cl2N3OS and a molecular weight of 474.46 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID44930547
Molecular FormulaC24H25Cl2N3OS
Molecular Weight474.46 g/mol
Exact Mass473.11
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCN(C)CCCN(C(=O)Cc1cccc2ccccc12)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C24H24ClN3OS.ClH/c1-27(2)14-7-15-28(24-26-23-20(25)12-6-13-21(23)30-24)22(29)16-18-10-5-9-17-8-3-4-11-19(17)18;/h3-6,8-13H,7,14-16H2,1-2H3;1H
InChIKeyUYIIWBLJTRXYRW-UHFFFAOYSA-N
XLogP6.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide;hydrochloride
CID 44930542
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
CID 7512489
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44923699
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931607
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanylpropanamide;hydrochloride
CID 44931770
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
CID 16808818
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 44930490
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919608
4-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43963928
methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate;hydrochloride
CID 16808825
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclopentanecarboxamide
CID 43964658
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 44937359

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 44930547) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride is CN(C)CCCN(C(=O)Cc1cccc2ccccc12)c1nc2c(Cl)cccc2s1.Cl.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is UYIIWBLJTRXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3OS.ClH/c1-27(2)14-7-15-28(24-26-23-20(25)12-6-13-21(23)30-24)22(29)16-18-10-5-9-17-8-3-4-11-19(17)18;/h3-6,8-13H,7,14-16H2,1-2H3;1H.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 474.46 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 44930547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).