N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C16H26IN7OS — CID 111080324

IUPACN'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)c1noc(CCC/N=C(\N)N2CCN(c3nccs3)CC2)n1.I
InChIInChI=1S/C16H25N7OS.HI/c1-12(2)14-20-13(24-21-14)4-3-5-18-15(17)22-7-9-23(10-8-22)16-19-6-11-25-16;/h6,11-12H,3-5,7-10H2,1-2H3,(H2,17,18);1H
InChIKeyIMVGEFFPHNJGKW-UHFFFAOYSA-N
MW491.40 g/mol
LogP2.34
Rot. Bonds6

About N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111080324) has the molecular formula C16H26IN7OS and a molecular weight of 491.40 g/mol. Its IUPAC name is N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111080324
Molecular FormulaC16H26IN7OS
Molecular Weight491.40 g/mol
Exact Mass491.10
IUPAC NameN'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)c1noc(CCC/N=C(\N)N2CCN(c3nccs3)CC2)n1.I
InChIInChI=1S/C16H25N7OS.HI/c1-12(2)14-20-13(24-21-14)4-3-5-18-15(17)22-7-9-23(10-8-22)16-19-6-11-25-16;/h6,11-12H,3-5,7-10H2,1-2H3,(H2,17,18);1H
InChIKeyIMVGEFFPHNJGKW-UHFFFAOYSA-N
XLogP2.34
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
CID 111080323
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'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[3-(1-methylpyrazol-4-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111098540
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
tert-butyl 4-[N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111080307
N'-[3-(1-phenylethoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111035771
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'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 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) is N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CC(C)c1noc(CCC/N=C(\N)N2CCN(c3nccs3)CC2)n1.I.
What is the InChIKey of N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is IMVGEFFPHNJGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS.HI/c1-12(2)14-20-13(24-21-14)4-3-5-18-15(17)22-7-9-23(10-8-22)16-19-6-11-25-16;/h6,11-12H,3-5,7-10H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 491.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111080324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).