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

C15H23IN6S2 — CID 111822090

IUPACN'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCc1cnc(CC/N=C(\N)N2CCN(c3nccs3)CC2)s1.I
InChIInChI=1S/C15H22N6S2.HI/c1-2-12-11-19-13(23-12)3-4-17-14(16)20-6-8-21(9-7-20)15-18-5-10-22-15;/h5,10-11H,2-4,6-9H2,1H3,(H2,16,17);1H
InChIKeyWEEQQTFZDCAQSJ-UHFFFAOYSA-N
MW478.43 g/mol
LogP2.46
Rot. Bonds5

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

N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111822090) has the molecular formula C15H23IN6S2 and a molecular weight of 478.43 g/mol. Its IUPAC name is N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111822090
Molecular FormulaC15H23IN6S2
Molecular Weight478.43 g/mol
Exact Mass478.05
IUPAC NameN'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCc1cnc(CC/N=C(\N)N2CCN(c3nccs3)CC2)s1.I
InChIInChI=1S/C15H22N6S2.HI/c1-2-12-11-19-13(23-12)3-4-17-14(16)20-6-8-21(9-7-20)15-18-5-10-22-15;/h5,10-11H,2-4,6-9H2,1H3,(H2,16,17);1H
InChIKeyWEEQQTFZDCAQSJ-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 52.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111072326
N'-[2-(2-methylpyrazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110050271
N'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048
4-(1,3-thiazol-2-yl)-N'-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027405
N'-[2-(4-methylpiperidin-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111056721
N'-[3-(1-methylpyrazol-4-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111098540
N'-[2-(2-methoxyphenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111030107
N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111822090) is N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CCc1cnc(CC/N=C(\N)N2CCN(c3nccs3)CC2)s1.I.
What is the InChIKey of N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WEEQQTFZDCAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S2.HI/c1-2-12-11-19-13(23-12)3-4-17-14(16)20-6-8-21(9-7-20)15-18-5-10-22-15;/h5,10-11H,2-4,6-9H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 478.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111822090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).