N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide

C18H17N3O2S — CID 7543226

IUPACN-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\N(C(C)=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-3-23-15-10-8-14(9-11-15)12-19-21(13(2)22)18-20-16-6-4-5-7-17(16)24-18/h4-12H,3H2,1-2H3/b19-12-
InChIKeyGMOOAAYBKMPLTN-UNOMPAQXSA-N
MW339.42 g/mol
LogP4.08
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide

N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 7543226) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID7543226
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\N(C(C)=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-3-23-15-10-8-14(9-11-15)12-19-21(13(2)22)18-20-16-6-4-5-7-17(16)24-18/h4-12H,3H2,1-2H3/b19-12-
InChIKeyGMOOAAYBKMPLTN-UNOMPAQXSA-N
XLogP4.08
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 7543629
N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
CID 7543215
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 44942876
4-acetyl-N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 44945319
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 44944153
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 44941637
3-bromo-N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 44945305
4-benzyl-N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44944147
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 44944176
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 44945294
3-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 44942918
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 44942945

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide (CID 7543226) is N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N\N(C(C)=O)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is GMOOAAYBKMPLTN-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-23-15-10-8-14(9-11-15)12-19-21(13(2)22)18-20-16-6-4-5-7-17(16)24-18/h4-12H,3H2,1-2H3/b19-12-.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 339.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7543226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).