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

C14H19N3O2S — CID 79494200

IUPAC3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCC(Cc1cccs1)N(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C14H19N3O2S/c1-10(8-12-4-3-7-20-12)17(2)9-11-5-6-19-13(11)14(18)16-15/h3-7,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyDFFWXSPEYCFOBM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.01
Rot. Bonds6

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

3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 79494200) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID79494200
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCC(Cc1cccs1)N(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C14H19N3O2S/c1-10(8-12-4-3-7-20-12)17(2)9-11-5-6-19-13(11)14(18)16-15/h3-7,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyDFFWXSPEYCFOBM-UHFFFAOYSA-N
XLogP2.01
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.01
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-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79491300
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63579662
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
[2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79486657
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
CID 79494279
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 61451664
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 79488662
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
CID 79476388

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide (CID 79494200) is 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide is CC(Cc1cccs1)N(C)Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is DFFWXSPEYCFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(8-12-4-3-7-20-12)17(2)9-11-5-6-19-13(11)14(18)16-15/h3-7,10H,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide?
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 293.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79494200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).