N-(3-aminophenyl)acetamide;1,3-benzothiazole

C15H15N3OS — CID 21431079

IUPACN-(3-aminophenyl)acetamide;1,3-benzothiazole
SMILESCC(=O)Nc1cccc(N)c1.c1ccc2scnc2c1
InChIInChI=1S/C8H10N2O.C7H5NS/c1-6(11)10-8-4-2-3-7(9)5-8;1-2-4-7-6(3-1)8-5-9-7/h2-5H,9H2,1H3,(H,10,11);1-5H
InChIKeyJTYJJBZHSZYBPU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.52
Rot. Bonds1

About N-(3-aminophenyl)acetamide;1,3-benzothiazole

N-(3-aminophenyl)acetamide;1,3-benzothiazole (PubChem CID 21431079) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-aminophenyl)acetamide;1,3-benzothiazole.

Molecular Properties

Compound NameN-(3-aminophenyl)acetamide;1,3-benzothiazole
PubChem CID21431079
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(3-aminophenyl)acetamide;1,3-benzothiazole
SMILESCC(=O)Nc1cccc(N)c1.c1ccc2scnc2c1
InChIInChI=1S/C8H10N2O.C7H5NS/c1-6(11)10-8-4-2-3-7(9)5-8;1-2-4-7-6(3-1)8-5-9-7/h2-5H,9H2,1H3,(H,10,11);1-5H
InChIKeyJTYJJBZHSZYBPU-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
1,3-benzothiazole;2-methylprop-2-enoic acid
CID 174918318
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
1,3-benzothiazole;thiohydroxylamine
CID 174771488
octakis(1,3-benzothiazole);sulfane
CID 173324926
azane;1,3-benzothiazole
CID 68815700
1,3-benzothiazole;zinc
CID 66588590
1,3-benzothiazole;formamide
CID 160548939
1,3-benzothiazole;(Z)-but-2-enedioic acid
CID 162315554
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;sulfurous acid;hydrate
CID 70542963

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)acetamide;1,3-benzothiazole?
The IUPAC name of N-(3-aminophenyl)acetamide;1,3-benzothiazole (CID 21431079) is N-(3-aminophenyl)acetamide;1,3-benzothiazole.
What is the SMILES notation for N-(3-aminophenyl)acetamide;1,3-benzothiazole?
The canonical SMILES for N-(3-aminophenyl)acetamide;1,3-benzothiazole is CC(=O)Nc1cccc(N)c1.c1ccc2scnc2c1.
What is the InChIKey of N-(3-aminophenyl)acetamide;1,3-benzothiazole?
The InChIKey is JTYJJBZHSZYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C7H5NS/c1-6(11)10-8-4-2-3-7(9)5-8;1-2-4-7-6(3-1)8-5-9-7/h2-5H,9H2,1H3,(H,10,11);1-5H.
What are the key properties of N-(3-aminophenyl)acetamide;1,3-benzothiazole?
N-(3-aminophenyl)acetamide;1,3-benzothiazole has a molecular weight of 285.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)acetamide;1,3-benzothiazole is sourced from PubChem (CID 21431079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).