3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide

C17H17N5OS — CID 143026776

IUPAC3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1N
InChIInChI=1S/C17H17N5OS/c18-12-5-3-10(16-2-1-7-24-16)9-15(12)21-17(23)11-4-6-14(22-20)13(19)8-11/h1-9,22H,18-20H2,(H,21,23)
InChIKeySRNXNFLHYPMJSV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.12
Rot. Bonds4

About 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide

3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide (PubChem CID 143026776) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
PubChem CID143026776
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1N
InChIInChI=1S/C17H17N5OS/c18-12-5-3-10(16-2-1-7-24-16)9-15(12)21-17(23)11-4-6-14(22-20)13(19)8-11/h1-9,22H,18-20H2,(H,21,23)
InChIKeySRNXNFLHYPMJSV-UHFFFAOYSA-N
XLogP3.12
TPSA119.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 59736937
N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
CID 59737416
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947291

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide (CID 143026776) is 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide is NNc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1N.
What is the InChIKey of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide?
The InChIKey is SRNXNFLHYPMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-12-5-3-10(16-2-1-7-24-16)9-15(12)21-17(23)11-4-6-14(22-20)13(19)8-11/h1-9,22H,18-20H2,(H,21,23).
What are the key properties of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide?
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 143026776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).