1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone

C19H20N2O2S — CID 19214458

IUPAC1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
SMILESCCOc1cccc2sc(NCC(=O)c3ccc(C)cc3C)nc12
InChIInChI=1S/C19H20N2O2S/c1-4-23-16-6-5-7-17-18(16)21-19(24-17)20-11-15(22)14-9-8-12(2)10-13(14)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyYJYFEUHUNMXIAE-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.61
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone (PubChem CID 19214458) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
PubChem CID19214458
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
SMILESCCOc1cccc2sc(NCC(=O)c3ccc(C)cc3C)nc12
InChIInChI=1S/C19H20N2O2S/c1-4-23-16-6-5-7-17-18(16)21-19(24-17)20-11-15(22)14-9-8-12(2)10-13(14)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyYJYFEUHUNMXIAE-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone
CID 19214437
2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone;hydrobromide
CID 19234240
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-nitrophenyl)ethanone;hydrobromide
CID 19234250
(2,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539479
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
CID 19213615
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone (CID 19214458) is 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone is CCOc1cccc2sc(NCC(=O)c3ccc(C)cc3C)nc12.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone?
The InChIKey is YJYFEUHUNMXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-23-16-6-5-7-17-18(16)21-19(24-17)20-11-15(22)14-9-8-12(2)10-13(14)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone has a molecular weight of 340.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone is sourced from PubChem (CID 19214458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).