5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

C14H24N4OS — CID 114540697

IUPAC5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H24N4OS/c1-9-6-18(7-10(2)17(9)4)8-12-5-13(14(19)16-15)20-11(12)3/h5,9-10H,6-8,15H2,1-4H3,(H,16,19)
InChIKeySSZWASIPTVPOOU-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.18
Rot. Bonds3

About 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 114540697) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID114540697
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H24N4OS/c1-9-6-18(7-10(2)17(9)4)8-12-5-13(14(19)16-15)20-11(12)3/h5,9-10H,6-8,15H2,1-4H3,(H,16,19)
InChIKeySSZWASIPTVPOOU-UHFFFAOYSA-N
XLogP1.18
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.18
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 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (CID 114540697) is 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1CC(C)N(C)C(C)C1.
What is the InChIKey of 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is SSZWASIPTVPOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9-6-18(7-10(2)17(9)4)8-12-5-13(14(19)16-15)20-11(12)3/h5,9-10H,6-8,15H2,1-4H3,(H,16,19).
What are the key properties of 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 114540697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).