5-[(dipropylamino)methyl]thiophene-2-carbohydrazide

C12H21N3OS — CID 63570424

IUPAC5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
SMILESCCCN(CCC)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3OS/c1-3-7-15(8-4-2)9-10-5-6-11(17-10)12(16)14-13/h5-6H,3-4,7-9,13H2,1-2H3,(H,14,16)
InChIKeyGQSYLSBVXNPXGJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.97
Rot. Bonds7

About 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide

5-[(dipropylamino)methyl]thiophene-2-carbohydrazide (PubChem CID 63570424) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
PubChem CID63570424
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
SMILESCCCN(CCC)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3OS/c1-3-7-15(8-4-2)9-10-5-6-11(17-10)12(16)14-13/h5-6H,3-4,7-9,13H2,1-2H3,(H,14,16)
InChIKeyGQSYLSBVXNPXGJ-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.97
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

5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63572646
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
CID 63377960
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
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-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242

Frequently Asked Questions

What is the IUPAC name of 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide (CID 63570424) is 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide is CCCN(CCC)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide?
The InChIKey is GQSYLSBVXNPXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-7-15(8-4-2)9-10-5-6-11(17-10)12(16)14-13/h5-6H,3-4,7-9,13H2,1-2H3,(H,14,16).
What are the key properties of 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide?
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide has a molecular weight of 255.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dipropylamino)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63570424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).