N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide

C16H20N4OS — CID 71465922

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C16H20N4OS/c1-19-6-8-20(9-7-19)16(21)18-14-11-12(4-5-13(14)17)15-3-2-10-22-15/h2-5,10-11H,6-9,17H2,1H3,(H,18,21)
InChIKeyGDMIRTGJCDZTLU-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.78
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 71465922) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID71465922
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C16H20N4OS/c1-19-6-8-20(9-7-19)16(21)18-14-11-12(4-5-13(14)17)15-3-2-10-22-15/h2-5,10-11H,6-9,17H2,1H3,(H,18,21)
InChIKeyGDMIRTGJCDZTLU-UHFFFAOYSA-N
XLogP2.78
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide 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 N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide (CID 71465922) is N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is GDMIRTGJCDZTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-19-6-8-20(9-7-19)16(21)18-14-11-12(4-5-13(14)17)15-3-2-10-22-15/h2-5,10-11H,6-9,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 71465922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).