ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate

C13H16N2O2S — CID 62004564

IUPACethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nc2ccccc2s1
InChIInChI=1S/C13H16N2O2S/c1-3-15(9-12(16)17-4-2)13-14-10-7-5-6-8-11(10)18-13/h5-8H,3-4,9H2,1-2H3
InChIKeyWKEWXHAGZUUMHV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate

ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate (PubChem CID 62004564) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
PubChem CID62004564
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nc2ccccc2s1
InChIInChI=1S/C13H16N2O2S/c1-3-15(9-12(16)17-4-2)13-14-10-7-5-6-8-11(10)18-13/h5-8H,3-4,9H2,1-2H3
InChIKeyWKEWXHAGZUUMHV-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
ethyl 2-[2-(1,3-benzothiazol-2-yl)ethenyl-(2-hexoxy-2-oxoethyl)amino]acetate
CID 89190970
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 28580758
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 28569671
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 28585999
ethyl (3Z)-3-[acetyl(1,3-benzothiazol-2-yl)hydrazinylidene]-3-(2-methylphenyl)propanoate
CID 19259120

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate (CID 62004564) is ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate is CCOC(=O)CN(CC)c1nc2ccccc2s1.
What is the InChIKey of ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate?
The InChIKey is WKEWXHAGZUUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-15(9-12(16)17-4-2)13-14-10-7-5-6-8-11(10)18-13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate?
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate has a molecular weight of 264.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate is sourced from PubChem (CID 62004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).