N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C15H27N5S — CID 111813196

IUPACN'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)CCCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H27N5S/c1-13(2)5-3-4-6-17-14(16)19-8-10-20(11-9-19)15-18-7-12-21-15/h7,12-13H,3-6,8-11H2,1-2H3,(H2,16,17)
InChIKeyQWDZDXAXTGHVKH-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.41
Rot. Bonds6

About N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111813196) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111813196
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC NameN'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)CCCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H27N5S/c1-13(2)5-3-4-6-17-14(16)19-8-10-20(11-9-19)15-18-7-12-21-15/h7,12-13H,3-6,8-11H2,1-2H3,(H2,16,17)
InChIKeyQWDZDXAXTGHVKH-UHFFFAOYSA-N
XLogP2.41
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.41
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'}

Analyze N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide 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'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026160
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
methyl 5-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111086175
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
N'-[3-(1-phenylethoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111035771
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026985
N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111080324

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111813196) is N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CC(C)CCCC/N=C(\N)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is QWDZDXAXTGHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-13(2)5-3-4-6-17-14(16)19-8-10-20(11-9-19)15-18-7-12-21-15/h7,12-13H,3-6,8-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 309.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111813196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).