3-(ethoxymethyl)thiophene-2-carbohydrazide

C8H12N2O2S — CID 63639341

IUPAC3-(ethoxymethyl)thiophene-2-carbohydrazide
SMILESCCOCc1ccsc1C(=O)NN
InChIInChI=1S/C8H12N2O2S/c1-2-12-5-6-3-4-13-7(6)8(11)10-9/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeyFMLTWXNEEALCEU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.89
Rot. Bonds4

About 3-(ethoxymethyl)thiophene-2-carbohydrazide

3-(ethoxymethyl)thiophene-2-carbohydrazide (PubChem CID 63639341) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-(ethoxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(ethoxymethyl)thiophene-2-carbohydrazide
PubChem CID63639341
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-(ethoxymethyl)thiophene-2-carbohydrazide
SMILESCCOCc1ccsc1C(=O)NN
InChIInChI=1S/C8H12N2O2S/c1-2-12-5-6-3-4-13-7(6)8(11)10-9/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeyFMLTWXNEEALCEU-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
3-(2-ethylhexoxymethyl)thiophene-2-carbohydrazide
CID 63639180
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
CID 63641034
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
CID 63640197
3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640372
3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63640538
3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66232584
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
3-[(2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640012

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(ethoxymethyl)thiophene-2-carbohydrazide (CID 63639341) is 3-(ethoxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(ethoxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(ethoxymethyl)thiophene-2-carbohydrazide is CCOCc1ccsc1C(=O)NN.
What is the InChIKey of 3-(ethoxymethyl)thiophene-2-carbohydrazide?
The InChIKey is FMLTWXNEEALCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-5-6-3-4-13-7(6)8(11)10-9/h3-4H,2,5,9H2,1H3,(H,10,11).
What are the key properties of 3-(ethoxymethyl)thiophene-2-carbohydrazide?
3-(ethoxymethyl)thiophene-2-carbohydrazide has a molecular weight of 200.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63639341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).