N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C13H19N7S — CID 111030810

IUPACN'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CCn1ccnc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N7S/c14-12(16-2-5-18-4-1-15-11-18)19-6-8-20(9-7-19)13-17-3-10-21-13/h1,3-4,10-11H,2,5-9H2,(H2,14,16)
InChIKeyUOCISAJGFWZKKP-UHFFFAOYSA-N
MW305.41 g/mol
LogP0.48
Rot. Bonds4

About N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111030810) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111030810
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CCn1ccnc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N7S/c14-12(16-2-5-18-4-1-15-11-18)19-6-8-20(9-7-19)13-17-3-10-21-13/h1,3-4,10-11H,2,5-9H2,(H2,14,16)
InChIKeyUOCISAJGFWZKKP-UHFFFAOYSA-N
XLogP0.48
TPSA75.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111051563
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(4-methylpiperidin-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111056721
N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111071081
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026985
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111030810) is N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is N/C(=N\CCn1ccnc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is UOCISAJGFWZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c14-12(16-2-5-18-4-1-15-11-18)19-6-8-20(9-7-19)13-17-3-10-21-13/h1,3-4,10-11H,2,5-9H2,(H2,14,16).
What are the key properties of N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 305.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111030810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).