N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

C20H21N3O3S — CID 146405944

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)
InChIKeyVNLGODQDOSGIMV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.78
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 146405944) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID146405944
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)
InChIKeyVNLGODQDOSGIMV-UHFFFAOYSA-N
XLogP3.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4000752
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 146405944) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is CCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is VNLGODQDOSGIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146405944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).