N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide

C16H13N3OS — CID 7543215

IUPACN-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
SMILESCC(=O)N(N=Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C16H13N3OS/c1-12(20)19(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)21-16/h2-11H,1H3
InChIKeyRCWXXXCTBQCZDR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.68
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide

N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide (PubChem CID 7543215) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
PubChem CID7543215
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
SMILESCC(=O)N(N=Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C16H13N3OS/c1-12(20)19(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)21-16/h2-11H,1H3
InChIKeyRCWXXXCTBQCZDR-UHFFFAOYSA-N
XLogP3.68
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 7543226
N-[(E)-benzylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 44945132
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7543493
N-[(E)-(4-bromophenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 44944018
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 44942686
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 7543629
N-[(E)-(4-methoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 44944748
N-[(E)-benzylideneamino]-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 44942714
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 44941420
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 44942692
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 44941414
N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 44943920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide (CID 7543215) is N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide is CC(=O)N(N=Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide?
The InChIKey is RCWXXXCTBQCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-12(20)19(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)21-16/h2-11H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide has a molecular weight of 295.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide is sourced from PubChem (CID 7543215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).