4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide

C16H20N8S — CID 111033939

IUPAC4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCc1nnc2ccccn12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H20N8S/c17-15(22-8-10-23(11-9-22)16-19-6-12-25-16)18-5-4-14-21-20-13-3-1-2-7-24(13)14/h1-3,6-7,12H,4-5,8-11H2,(H2,17,18)
InChIKeyYYZUITMBJJQDHG-UHFFFAOYSA-N
MW356.46 g/mol
LogP0.87
Rot. Bonds4

About 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide

4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 111033939) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
PubChem CID111033939
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC Name4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCc1nnc2ccccn12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H20N8S/c17-15(22-8-10-23(11-9-22)16-19-6-12-25-16)18-5-4-14-21-20-13-3-1-2-7-24(13)14/h1-3,6-7,12H,4-5,8-11H2,(H2,17,18)
InChIKeyYYZUITMBJJQDHG-UHFFFAOYSA-N
XLogP0.87
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxyphenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111030107
N'-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111035438
N'-[2-(2-methylpyrazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110050271
N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803023
N'-[2-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111072326
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090
N'-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111059099
tert-butyl 4-[N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111033920
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-(2-phenylmethoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111600690
4-(1,3-thiazol-2-yl)-N'-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027405

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide (CID 111033939) is 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide is N/C(=N\CCc1nnc2ccccn12)N1CCN(c2nccs2)CC1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is YYZUITMBJJQDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c17-15(22-8-10-23(11-9-22)16-19-6-12-25-16)18-5-4-14-21-20-13-3-1-2-7-24(13)14/h1-3,6-7,12H,4-5,8-11H2,(H2,17,18).
What are the key properties of 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide?
4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 356.46 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111033939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).