N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide

C17H26IN7OS — CID 109433322

IUPACN'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C17H25N7OS.HI/c1-13-12-26-15(21-13)5-4-6-19-17(18-2)23-7-8-24(16(25)11-23)14-9-20-22(3)10-14;/h9-10,12H,4-8,11H2,1-3H3,(H,18,19);1H
InChIKeyWHMJVLATQNIUGL-UHFFFAOYSA-N
MW503.41 g/mol
LogP1.66
Rot. Bonds5

About N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide

N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 109433322) has the molecular formula C17H26IN7OS and a molecular weight of 503.41 g/mol. Its IUPAC name is N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
PubChem CID109433322
Molecular FormulaC17H26IN7OS
Molecular Weight503.41 g/mol
Exact Mass503.10
IUPAC NameN'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C17H25N7OS.HI/c1-13-12-26-15(21-13)5-4-6-19-17(18-2)23-7-8-24(16(25)11-23)14-9-20-22(3)10-14;/h9-10,12H,4-8,11H2,1-3H3,(H,18,19);1H
InChIKeyWHMJVLATQNIUGL-UHFFFAOYSA-N
XLogP1.66
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-4-(1-methylpyrazol-4-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-oxopiperazine-1-carboximidamide
CID 109434443
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109435944
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436326
N-hexyl-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435527
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433328
N'-methyl-4-(1-methylpyrazol-4-yl)-N-(3-methylsulfanylpropyl)-3-oxopiperazine-1-carboximidamide
CID 109435417
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433329
N-[3-(dipropylamino)propyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433229
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide
CID 109435905
N'-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436461

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 109433322) is N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCCc1nc(C)cs1)N1CCN(c2cnn(C)c2)C(=O)C1.I.
What is the InChIKey of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The InChIKey is WHMJVLATQNIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS.HI/c1-13-12-26-15(21-13)5-4-6-19-17(18-2)23-7-8-24(16(25)11-23)14-9-20-22(3)10-14;/h9-10,12H,4-8,11H2,1-3H3,(H,18,19);1H.
What are the key properties of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 503.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109433322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).