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

C19H20N2O2S — CID 19214437

IUPAC2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCOc1cccc2sc(NCC(=O)c3ccc(CC)cc3)nc12
InChIInChI=1S/C19H20N2O2S/c1-3-13-8-10-14(11-9-13)15(22)12-20-19-21-18-16(23-4-2)6-5-7-17(18)24-19/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyRCLPSTADOBSULW-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.55
Rot. Bonds7

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

2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone (PubChem CID 19214437) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone
PubChem CID19214437
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCOc1cccc2sc(NCC(=O)c3ccc(CC)cc3)nc12
InChIInChI=1S/C19H20N2O2S/c1-3-13-8-10-14(11-9-13)15(22)12-20-19-21-18-16(23-4-2)6-5-7-17(18)24-19/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyRCLPSTADOBSULW-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.55
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;hydrobromide
CID 19234240
2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-nitrophenyl)ethanone;hydrobromide
CID 19234250
1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 19214458
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107552

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone (CID 19214437) is 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone is CCOc1cccc2sc(NCC(=O)c3ccc(CC)cc3)nc12.
What is the InChIKey of 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone?
The InChIKey is RCLPSTADOBSULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-13-8-10-14(11-9-13)15(22)12-20-19-21-18-16(23-4-2)6-5-7-17(18)24-19/h5-11H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone?
2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone has a molecular weight of 340.45 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 19214437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).