N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C12H22IN5S — CID 111023210

IUPACN'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCCC/N=C(\N)N1CCN(c2nccs2)CC1.I
InChIInChI=1S/C12H21N5S.HI/c1-2-3-4-14-11(13)16-6-8-17(9-7-16)12-15-5-10-18-12;/h5,10H,2-4,6-9H2,1H3,(H2,13,14);1H
InChIKeyWGGBCEIBDLYTKS-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.00
Rot. Bonds4

About N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111023210) has the molecular formula C12H22IN5S and a molecular weight of 395.31 g/mol. Its IUPAC name is N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111023210
Molecular FormulaC12H22IN5S
Molecular Weight395.31 g/mol
Exact Mass395.06
IUPAC NameN'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCCC/N=C(\N)N1CCN(c2nccs2)CC1.I
InChIInChI=1S/C12H21N5S.HI/c1-2-3-4-14-11(13)16-6-8-17(9-7-16)12-15-5-10-18-12;/h5,10H,2-4,6-9H2,1H3,(H2,13,14);1H
InChIKeyWGGBCEIBDLYTKS-UHFFFAOYSA-N
XLogP2.00
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-butyl-4-(1,3-thiazol-2-yl)piperazine-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'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-(4-methylsulfanylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111816554
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026160
methyl 5-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111086175
N'-[3-(1-methylpyrazol-4-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111098540
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111023210) is N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CCCC/N=C(\N)N1CCN(c2nccs2)CC1.I.
What is the InChIKey of N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WGGBCEIBDLYTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S.HI/c1-2-3-4-14-11(13)16-6-8-17(9-7-16)12-15-5-10-18-12;/h5,10H,2-4,6-9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 395.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111023210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).