2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide

C12H15N3OS — CID 116849870

IUPAC2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1csc2ccccc12
InChIInChI=1S/C12H15N3OS/c1-15(2)14-12(16)11(13)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,13H2,1-2H3,(H,14,16)
InChIKeyPIRGTSDSURVYEX-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide

2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide (PubChem CID 116849870) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
PubChem CID116849870
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1csc2ccccc12
InChIInChI=1S/C12H15N3OS/c1-15(2)14-12(16)11(13)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,13H2,1-2H3,(H,14,16)
InChIKeyPIRGTSDSURVYEX-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide 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

3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
7-[[(2S)-2-amino-2-(1-benzothiophen-3-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57402763
methyl (2R,3S)-3-(1-benzothiophen-3-yl)-2-(methylamino)butanoate
CID 143382265
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide (CID 116849870) is 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)C(N)c1csc2ccccc12.
What is the InChIKey of 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is PIRGTSDSURVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(2)14-12(16)11(13)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide?
2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 249.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116849870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).