N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide

C15H19N3O3S — CID 154424772

IUPACN-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(C(=O)CN1CCOCC1)C1=Nc2ccccc2S1=O
InChIInChI=1S/C15H19N3O3S/c1-2-18(14(19)11-17-7-9-21-10-8-17)15-16-12-5-3-4-6-13(12)22(15)20/h3-6H,2,7-11H2,1H3
InChIKeyPLZPRPLRECSCSS-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.98
Rot. Bonds3

About N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide

N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide (PubChem CID 154424772) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide
PubChem CID154424772
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(C(=O)CN1CCOCC1)C1=Nc2ccccc2S1=O
InChIInChI=1S/C15H19N3O3S/c1-2-18(14(19)11-17-7-9-21-10-8-17)15-16-12-5-3-4-6-13(12)22(15)20/h3-6H,2,7-11H2,1H3
InChIKeyPLZPRPLRECSCSS-UHFFFAOYSA-N
XLogP0.98
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492583
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
N-[2-(1-ethoxyethenyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 70176279
N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide
CID 3042221
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
CID 46985161
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
1-[5-(4-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46154154
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
CID 39980651
2-(1,3-dioxoisoindol-2-yl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29069005
methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
CID 142799155

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide (CID 154424772) is N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide is CCN(C(=O)CN1CCOCC1)C1=Nc2ccccc2S1=O.
What is the InChIKey of N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PLZPRPLRECSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-18(14(19)11-17-7-9-21-10-8-17)15-16-12-5-3-4-6-13(12)22(15)20/h3-6H,2,7-11H2,1H3.
What are the key properties of N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide?
N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 154424772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).