potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane

C16H26KN4OS- — CID 176964697

IUPACpotassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane
SMILESCNC(=O)c1ncc(N2CCN([C@H]3C[CH-]CC3)CC2)s1.[CH2-]C.[K+]
InChIInChI=1S/C14H21N4OS.C2H5.K/c1-15-13(19)14-16-10-12(20-14)18-8-6-17(7-9-18)11-4-2-3-5-11;1-2;/h2,10-11H,3-9H2,1H3,(H,15,19);1H2,2H3;/q2*-1;+1/t11-;;/m0../s1
InChIKeyFGZDLBYNJGYVHU-IDMXKUIJSA-N
MW361.58 g/mol
LogP-0.77
Rot. Bonds3

About potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane

potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane (PubChem CID 176964697) has the molecular formula C16H26KN4OS- and a molecular weight of 361.58 g/mol. Its IUPAC name is potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane.

Molecular Properties

Compound Namepotassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane
PubChem CID176964697
Molecular FormulaC16H26KN4OS-
Molecular Weight361.58 g/mol
Exact Mass361.15
IUPAC Namepotassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane
SMILESCNC(=O)c1ncc(N2CCN([C@H]3C[CH-]CC3)CC2)s1.[CH2-]C.[K+]
InChIInChI=1S/C14H21N4OS.C2H5.K/c1-15-13(19)14-16-10-12(20-14)18-8-6-17(7-9-18)11-4-2-3-5-11;1-2;/h2,10-11H,3-9H2,1H3,(H,15,19);1H2,2H3;/q2*-1;+1/t11-;;/m0../s1
InChIKeyFGZDLBYNJGYVHU-IDMXKUIJSA-N
XLogP-0.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane 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 potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane?
The IUPAC name of potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane (CID 176964697) is potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane.
What is the SMILES notation for potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane?
The canonical SMILES for potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane is CNC(=O)c1ncc(N2CCN([C@H]3C[CH-]CC3)CC2)s1.[CH2-]C.[K+].
What is the InChIKey of potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane?
The InChIKey is FGZDLBYNJGYVHU-IDMXKUIJSA-N. The full InChI is InChI=1S/C14H21N4OS.C2H5.K/c1-15-13(19)14-16-10-12(20-14)18-8-6-17(7-9-18)11-4-2-3-5-11;1-2;/h2,10-11H,3-9H2,1H3,(H,15,19);1H2,2H3;/q2*-1;+1/t11-;;/m0../s1.
What are the key properties of potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane?
potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane has a molecular weight of 361.58 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(4-cyclopentylpiperazin-1-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane is sourced from PubChem (CID 176964697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).