3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide

C15H21N3O2S — CID 79491300

IUPAC3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)C(C)Cc2cccs2)oc1C(=O)NN
InChIInChI=1S/C15H21N3O2S/c1-10-7-12(20-14(10)15(19)17-16)9-18(3)11(2)8-13-5-4-6-21-13/h4-7,11H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyBBJDWQJCCSQOBS-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.32
Rot. Bonds6

About 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide

3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 79491300) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID79491300
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)C(C)Cc2cccs2)oc1C(=O)NN
InChIInChI=1S/C15H21N3O2S/c1-10-7-12(20-14(10)15(19)17-16)9-18(3)11(2)8-13-5-4-6-21-13/h4-7,11H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyBBJDWQJCCSQOBS-UHFFFAOYSA-N
XLogP2.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.32
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

3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
CID 63579656
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
CID 79494279
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63571014
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide (CID 79491300) is 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide is Cc1cc(CN(C)C(C)Cc2cccs2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is BBJDWQJCCSQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-7-12(20-14(10)15(19)17-16)9-18(3)11(2)8-13-5-4-6-21-13/h4-7,11H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 307.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79491300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).