N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide

C19H19N3O2S — CID 72724605

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H19N3O2S/c23-18(13-22-9-11-24-12-10-22)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2,(H,20,23)
InChIKeyUWTYBRPYHOTKDE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.23
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 72724605) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID72724605
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H19N3O2S/c23-18(13-22-9-11-24-12-10-22)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2,(H,20,23)
InChIKeyUWTYBRPYHOTKDE-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
Propionamidopropanamide
CID 131750123
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1001148
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
1-(dimethylsulfamoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187405
(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide
CID 135350803
1-[6-(2-Ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71654755
N-[4-(1,3-benzothiazol-2-yl)benzyl]acetamide
CID 851565
N-(4-Morpholinophenyl)benzo[d]thiazole-2-carboxamide
CID 900711

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide (CID 72724605) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is UWTYBRPYHOTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(13-22-9-11-24-12-10-22)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2,(H,20,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 72724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).