[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate

C20H20N2O3S — CID 2581527

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H20N2O3S/c1-3-22(4-2)18(23)13-25-20(24)15-10-6-5-9-14(15)19-21-16-11-7-8-12-17(16)26-19/h5-12H,3-4,13H2,1-2H3
InChIKeyMXAOJTYJMUIWCJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.99
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate

[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate (PubChem CID 2581527) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
PubChem CID2581527
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H20N2O3S/c1-3-22(4-2)18(23)13-25-20(24)15-10-6-5-9-14(15)19-21-16-11-7-8-12-17(16)26-19/h5-12H,3-4,13H2,1-2H3
InChIKeyMXAOJTYJMUIWCJ-UHFFFAOYSA-N
XLogP3.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581513
2-oxopropyl 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581641
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 8820940
[2-(2-ethylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 7842327
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2109220
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364049
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581542
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 9491487
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23904875
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 3521063

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate (CID 2581527) is [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate is CCN(CC)C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate?
The InChIKey is MXAOJTYJMUIWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-22(4-2)18(23)13-25-20(24)15-10-6-5-9-14(15)19-21-16-11-7-8-12-17(16)26-19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate?
[2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate has a molecular weight of 368.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate is sourced from PubChem (CID 2581527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).