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

C16H24IN7OS — CID 109436326

IUPACN'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ncc(C)s1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C16H23N7OS.HI/c1-12-8-19-14(25-12)4-5-18-16(17-2)22-6-7-23(15(24)11-22)13-9-20-21(3)10-13;/h8-10H,4-7,11H2,1-3H3,(H,17,18);1H
InChIKeyNFPHIKXBQQJIRA-UHFFFAOYSA-N
MW489.39 g/mol
LogP1.27
Rot. Bonds4

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

N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 109436326) has the molecular formula C16H24IN7OS and a molecular weight of 489.39 g/mol. Its IUPAC name is N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
PubChem CID109436326
Molecular FormulaC16H24IN7OS
Molecular Weight489.39 g/mol
Exact Mass489.08
IUPAC NameN'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ncc(C)s1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C16H23N7OS.HI/c1-12-8-19-14(25-12)4-5-18-16(17-2)22-6-7-23(15(24)11-22)13-9-20-21(3)10-13;/h8-10H,4-7,11H2,1-3H3,(H,17,18);1H
InChIKeyNFPHIKXBQQJIRA-UHFFFAOYSA-N
XLogP1.27
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 51.27
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'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N-(2-ethylsulfonylethyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432725
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433322
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-thiophen-3-ylethyl)piperazine-1-carboximidamide
CID 109433733
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboximidamide
CID 109435435
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434308
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-oxopiperazine-1-carboximidamide
CID 109434443
N-hexyl-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435527
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433328
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-thiomorpholin-4-ylsulfonylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109432582
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109435944

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 109436326) is N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ncc(C)s1)N1CCN(c2cnn(C)c2)C(=O)C1.I.
What is the InChIKey of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The InChIKey is NFPHIKXBQQJIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7OS.HI/c1-12-8-19-14(25-12)4-5-18-16(17-2)22-6-7-23(15(24)11-22)13-9-20-21(3)10-13;/h8-10H,4-7,11H2,1-3H3,(H,17,18);1H.
What are the key properties of N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 489.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).