5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

C13H16N4OS — CID 63571803

IUPAC5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccccn1)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C13H16N4OS/c1-17(8-10-4-2-3-7-15-10)9-11-5-6-12(19-11)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18)
InChIKeyMHNBUFVTNLLFJH-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.38
Rot. Bonds5

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

5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63571803) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63571803
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccccn1)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C13H16N4OS/c1-17(8-10-4-2-3-7-15-10)9-11-5-6-12(19-11)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18)
InChIKeyMHNBUFVTNLLFJH-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.38
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-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63571803) is 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccccn1)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is MHNBUFVTNLLFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(8-10-4-2-3-7-15-10)9-11-5-6-12(19-11)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18).
What are the key properties of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 276.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).