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

C13H16N2OS — CID 116847650

IUPAC3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCc1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-15(2)14-13(16)8-7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyGKGOLIHCXSCTGK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.43
Rot. Bonds4

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

3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116847650) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116847650
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCc1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-15(2)14-13(16)8-7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyGKGOLIHCXSCTGK-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
6-(1-benzothiophen-3-yl)hexane-2,3,5-trione
CID 59961659
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide
CID 69487131
5-[2-(1-benzothiophen-3-yl)ethylamino]pentan-2-one
CID 115236729
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyano-N-methylformamide
CID 115172721
N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119629500
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (CID 116847650) is 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)CCc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is GKGOLIHCXSCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(2)14-13(16)8-7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 248.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).