4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

C14H19N3O2S — CID 80733881

IUPAC4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN(Cc1ccco1)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C14H19N3O2S/c1-3-17(9-12-5-4-6-19-12)8-11-7-13(14(18)16-15)20-10(11)2/h4-7H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyVQNRZLJLPVBWKB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.28
Rot. Bonds6

About 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733881) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733881
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN(Cc1ccco1)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C14H19N3O2S/c1-3-17(9-12-5-4-6-19-12)8-11-7-13(14(18)16-15)20-10(11)2/h4-7H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyVQNRZLJLPVBWKB-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
CID 80733732
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80728224
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
CID 33189454
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (CID 80733881) is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is CCN(Cc1ccco1)Cc1cc(C(=O)NN)sc1C.
What is the InChIKey of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is VQNRZLJLPVBWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17(9-12-5-4-6-19-12)8-11-7-13(14(18)16-15)20-10(11)2/h4-7H,3,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 293.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).