5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide

C11H16N4OS — CID 55212482

IUPAC5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C#N)CN(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C11H16N4OS/c1-8(5-12)6-15(2)7-9-3-4-10(17-9)11(16)14-13/h3-4,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyLMUNXGRUAASXIU-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.94
Rot. Bonds5

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

5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 55212482) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID55212482
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C#N)CN(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C11H16N4OS/c1-8(5-12)6-15(2)7-9-3-4-10(17-9)11(16)14-13/h3-4,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyLMUNXGRUAASXIU-UHFFFAOYSA-N
XLogP0.94
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351827
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79765526
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803

Frequently Asked Questions

What is the IUPAC name of 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide (CID 55212482) is 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide is CC(C#N)CN(C)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is LMUNXGRUAASXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(5-12)6-15(2)7-9-3-4-10(17-9)11(16)14-13/h3-4,8H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 252.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55212482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).