N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide

C18H17Cl2N3OS — CID 78896437

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide
SMILESCC(NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3OS/c1-11(13-8-7-12(19)9-14(13)20)21-10-17(24)23(2)18-22-15-5-3-4-6-16(15)25-18/h3-9,11,21H,10H2,1-2H3
InChIKeySJEBTEHIOKMFRD-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.92
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide (PubChem CID 78896437) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide
PubChem CID78896437
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide
SMILESCC(NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3OS/c1-11(13-8-7-12(19)9-14(13)20)21-10-17(24)23(2)18-22-15-5-3-4-6-16(15)25-18/h3-9,11,21H,10H2,1-2H3
InChIKeySJEBTEHIOKMFRD-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 24643115
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 8636530
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 8802852
N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 78825100
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
N-(1,3-benzothiazol-2-yl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 34252201
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 111496378
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide
CID 112801563
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695388

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide (CID 78896437) is N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide is CC(NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide?
The InChIKey is SJEBTEHIOKMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-11(13-8-7-12(19)9-14(13)20)21-10-17(24)23(2)18-22-15-5-3-4-6-16(15)25-18/h3-9,11,21H,10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide has a molecular weight of 394.33 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 78896437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).