N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C16H12ClN3O2S — CID 10712561

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-12-7-5-11(6-8-12)9-18-19-15(21)10-20-13-3-1-2-4-14(13)23-16(20)22/h1-9H,10H2,(H,19,21)/b18-9+
InChIKeyZHCZBGLVPTYHJN-GIJQJNRQSA-N
MW345.81 g/mol
LogP2.87
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 10712561) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID10712561
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-12-7-5-11(6-8-12)9-18-19-15(21)10-20-13-3-1-2-4-14(13)23-16(20)22/h1-9H,10H2,(H,19,21)/b18-9+
InChIKeyZHCZBGLVPTYHJN-GIJQJNRQSA-N
XLogP2.87
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 162395850
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 7693080
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
CID 71515235
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 10712561) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is ZHCZBGLVPTYHJN-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-12-7-5-11(6-8-12)9-18-19-15(21)10-20-13-3-1-2-4-14(13)23-16(20)22/h1-9H,10H2,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 345.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 10712561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).