N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide

C12H14N2OS — CID 171823190

IUPACN'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1cc2ccccc2s1
InChIInChI=1S/C12H14N2OS/c1-9(15)14(2)13-8-11-7-10-5-3-4-6-12(10)16-11/h3-7,13H,8H2,1-2H3
InChIKeyGLVGEQJBQBLXJE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.38
Rot. Bonds3

About N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide

N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide (PubChem CID 171823190) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide.

Molecular Properties

Compound NameN'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
PubChem CID171823190
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1cc2ccccc2s1
InChIInChI=1S/C12H14N2OS/c1-9(15)14(2)13-8-11-7-10-5-3-4-6-12(10)16-11/h3-7,13H,8H2,1-2H3
InChIKeyGLVGEQJBQBLXJE-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.38
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

(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
N-[(2S)-1-(1-benzothiophen-2-yl)-3-oxopropan-2-yl]acetamide
CID 22858851
3-(1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117119996
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one
CID 146932608
2-[2-acetamidoethyl(1-benzothiophen-2-ylmethyl)amino]propanoic acid
CID 122039139
2-(fluoromethyl)-1-benzothiophene
CID 119085404
1-(1-benzothiophen-2-ylmethyl)-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 46982365
1-[4-[3-[(1-benzothiophen-2-ylmethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 26403529
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide?
The IUPAC name of N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide (CID 171823190) is N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide.
What is the SMILES notation for N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide?
The canonical SMILES for N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide is CC(=O)N(C)NCc1cc2ccccc2s1.
What is the InChIKey of N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide?
The InChIKey is GLVGEQJBQBLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(15)14(2)13-8-11-7-10-5-3-4-6-12(10)16-11/h3-7,13H,8H2,1-2H3.
What are the key properties of N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide?
N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide has a molecular weight of 234.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide is sourced from PubChem (CID 171823190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).