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

C13H17N3OS — CID 116849978

IUPAC2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)C(N)Cc1csc2ccccc12
InChIInChI=1S/C13H17N3OS/c1-16(2)15-13(17)11(14)7-9-8-18-12-6-4-3-5-10(9)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17)
InChIKeyNQRIVFKXWVIXBY-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.36
Rot. Bonds4

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

2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116849978) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116849978
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)C(N)Cc1csc2ccccc12
InChIInChI=1S/C13H17N3OS/c1-16(2)15-13(17)11(14)7-9-8-18-12-6-4-3-5-10(9)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17)
InChIKeyNQRIVFKXWVIXBY-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride
CID 69484677
2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
CID 116849870
(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-4-methylpentanamide
CID 140518639
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
2-[1-[[[(2R)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292811
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (CID 116849978) is 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)C(N)Cc1csc2ccccc12.
What is the InChIKey of 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is NQRIVFKXWVIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16(2)15-13(17)11(14)7-9-8-18-12-6-4-3-5-10(9)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 263.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).