2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide

C9H15N5OS — CID 67450642

IUPAC2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCN1CCN(c2nc(C(=O)NN)cs2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15)
InChIKeyRUINCPXURLENAP-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.50
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide

2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 67450642) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID67450642
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCN1CCN(c2nc(C(=O)NN)cs2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15)
InChIKeyRUINCPXURLENAP-UHFFFAOYSA-N
XLogP-0.50
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methylpiperazin-1-yl)-1,3-thiazole-4-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 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide (CID 67450642) is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide is CN1CCN(c2nc(C(=O)NN)cs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is RUINCPXURLENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 241.32 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 67450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).