2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide

C13H17N3OS — CID 43215005

IUPAC2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(14-8-12(17)16(2)3)13-15-10-6-4-5-7-11(10)18-13/h4-7,9,14H,8H2,1-3H3
InChIKeyNJMZTGURICWUPJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43215005) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
PubChem CID43215005
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(14-8-12(17)16(2)3)13-15-10-6-4-5-7-11(10)18-13/h4-7,9,14H,8H2,1-3H3
InChIKeyNJMZTGURICWUPJ-UHFFFAOYSA-N
XLogP2.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695388
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 8636530
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-benzyl-N'-methylpropane-1,3-diamine
CID 113219610
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide (CID 43215005) is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is NJMZTGURICWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(14-8-12(17)16(2)3)13-15-10-6-4-5-7-11(10)18-13/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide?
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 263.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43215005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).