4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide

C15H26N4OS — CID 80722173

IUPAC4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN1CCCC1CN(C)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C15H26N4OS/c1-4-19-7-5-6-13(19)10-18(3)9-12-8-14(15(20)17-16)21-11(12)2/h8,13H,4-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyWMIPJTWYMMKJLS-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.58
Rot. Bonds6

About 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide

4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80722173) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80722173
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN1CCCC1CN(C)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C15H26N4OS/c1-4-19-7-5-6-13(19)10-18(3)9-12-8-14(15(20)17-16)21-11(12)2/h8,13H,4-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyWMIPJTWYMMKJLS-UHFFFAOYSA-N
XLogP1.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.58
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 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80734028
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 79311848
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone
CID 79318675
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 102873667
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide (CID 80722173) is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide is CCN1CCCC1CN(C)Cc1cc(C(=O)NN)sc1C.
What is the InChIKey of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is WMIPJTWYMMKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-19-7-5-6-13(19)10-18(3)9-12-8-14(15(20)17-16)21-11(12)2/h8,13H,4-7,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 310.47 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80722173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).