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

C12H18N4OS — CID 63585748

IUPAC5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)s1)CC(C)C#N
InChIInChI=1S/C12H18N4OS/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyNBEWAZUOCXWJMR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.33
Rot. Bonds6

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

5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63585748) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63585748
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)s1)CC(C)C#N
InChIInChI=1S/C12H18N4OS/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyNBEWAZUOCXWJMR-UHFFFAOYSA-N
XLogP1.33
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.33
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(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
CID 63583704
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63572646
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
methyl 5-(diethylaminomethyl)thiophene-2-carboxylate
CID 71563456
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
3-[5-[[2-cyanopropyl(ethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918853
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572

Frequently Asked Questions

What is the IUPAC name of 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63585748) is 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide is CCN(Cc1ccc(C(=O)NN)s1)CC(C)C#N.
What is the InChIKey of 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is NBEWAZUOCXWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 266.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63585748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).