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'}

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Related Compounds

5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
CID 176965172
5-[4-[(1S,3R)-3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
CID 176964447
3-fluoro-N-methyl-5-[4-(1-propylborolan-3-yl)piperazin-1-yl]pyridine-2-carboxamide
CID 176560735
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 66589828
N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
CID 166021780
2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 169149196
[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
CID 175262489
5-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)-N-methylpyrazine-2-carboxamide
CID 59755896
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212

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).