5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide

C12H18N4O2S — CID 63572646

IUPAC5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCOCCN(CCC#N)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H18N4O2S/c1-18-8-7-16(6-2-5-13)9-10-3-4-11(19-10)12(17)15-14/h3-4H,2,6-9,14H2,1H3,(H,15,17)
InChIKeyCDJJJBQBVFSAFT-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.71
Rot. Bonds8

About 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide

5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63572646) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63572646
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCOCCN(CCC#N)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H18N4O2S/c1-18-8-7-16(6-2-5-13)9-10-3-4-11(19-10)12(17)15-14/h3-4H,2,6-9,14H2,1H3,(H,15,17)
InChIKeyCDJJJBQBVFSAFT-UHFFFAOYSA-N
XLogP0.71
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
2-[4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105346010
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[(3-amino-4-hydroxyphenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63284896
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63855802
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253

Frequently Asked Questions

What is the IUPAC name of 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63572646) is 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide is COCCN(CCC#N)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is CDJJJBQBVFSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-18-8-7-16(6-2-5-13)9-10-3-4-11(19-10)12(17)15-14/h3-4H,2,6-9,14H2,1H3,(H,15,17).
What are the key properties of 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 282.37 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63572646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).