3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

C12H15N3OS2 — CID 63640383

IUPAC3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C12H15N3OS2/c1-15(6-9-2-4-17-8-9)7-10-3-5-18-11(10)12(16)14-13/h2-5,8H,6-7,13H2,1H3,(H,14,16)
InChIKeyXLVHNTFLYFZZQV-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.05
Rot. Bonds5

About 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63640383) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63640383
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C12H15N3OS2/c1-15(6-9-2-4-17-8-9)7-10-3-5-18-11(10)12(16)14-13/h2-5,8H,6-7,13H2,1H3,(H,14,16)
InChIKeyXLVHNTFLYFZZQV-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.05
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'}

Analyze 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide with MolForge

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Related Compounds

3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
2-amino-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]benzoic acid
CID 104824331
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63640383) is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1)Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is XLVHNTFLYFZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-15(6-9-2-4-17-8-9)7-10-3-5-18-11(10)12(16)14-13/h2-5,8H,6-7,13H2,1H3,(H,14,16).
What are the key properties of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 281.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).