2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide

C16H19N3OS — CID 63583264

IUPAC2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H19N3OS/c17-18-16(20)15-4-2-1-3-13(15)10-19(14-5-6-14)9-12-7-8-21-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2,(H,18,20)
InChIKeyUWUVODCWIZWQPD-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.52
Rot. Bonds6

About 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide

2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide (PubChem CID 63583264) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
PubChem CID63583264
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H19N3OS/c17-18-16(20)15-4-2-1-3-13(15)10-19(14-5-6-14)9-12-7-8-21-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2,(H,18,20)
InChIKeyUWUVODCWIZWQPD-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide 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

2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61434453
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 103912099
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide (CID 63583264) is 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide is NNC(=O)c1ccccc1CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide?
The InChIKey is UWUVODCWIZWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-18-16(20)15-4-2-1-3-13(15)10-19(14-5-6-14)9-12-7-8-21-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2,(H,18,20).
What are the key properties of 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide?
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide has a molecular weight of 301.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63583264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).