N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine

C11H13BrN4S — CID 106044050

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
SMILESNNc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C11H13BrN4S/c12-10-2-1-9(17-10)4-6-14-8-3-5-15-11(7-8)16-13/h1-3,5,7H,4,6,13H2,(H2,14,15,16)
InChIKeyDXDXETZQKQWXHI-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine (PubChem CID 106044050) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
PubChem CID106044050
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
SMILESNNc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C11H13BrN4S/c12-10-2-1-9(17-10)4-6-14-8-3-5-15-11(7-8)16-13/h1-3,5,7H,4,6,13H2,(H2,14,15,16)
InChIKeyDXDXETZQKQWXHI-UHFFFAOYSA-N
XLogP2.85
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine 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-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698
4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 114139101
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 106039782
2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 114139092
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 114140159
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
1-[2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]phenyl]ethanone
CID 106037639
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridin-4-amine
CID 106901053
3-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methoxybenzene-1,3-diamine
CID 106037597
N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 113234131

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine (CID 106044050) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine is NNc1cc(NCCc2ccc(Br)s2)ccn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine?
The InChIKey is DXDXETZQKQWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c12-10-2-1-9(17-10)4-6-14-8-3-5-15-11(7-8)16-13/h1-3,5,7H,4,6,13H2,(H2,14,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine has a molecular weight of 313.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine is sourced from PubChem (CID 106044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).