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

C15H28IN5S — CID 111516142

IUPACN'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ncc(C)s1)N1CCN(CC(C)C)CC1.I
InChIInChI=1S/C15H27N5S.HI/c1-12(2)11-19-5-7-20(8-6-19)15(16-4)18-10-14-17-9-13(3)21-14;/h9,12H,5-8,10-11H2,1-4H3,(H,16,18);1H
InChIKeyIVMLPGLQXRASHO-UHFFFAOYSA-N
MW437.40 g/mol
LogP2.42
Rot. Bonds4

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

N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111516142) has the molecular formula C15H28IN5S and a molecular weight of 437.40 g/mol. Its IUPAC name is N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111516142
Molecular FormulaC15H28IN5S
Molecular Weight437.40 g/mol
Exact Mass437.11
IUPAC NameN'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ncc(C)s1)N1CCN(CC(C)C)CC1.I
InChIInChI=1S/C15H27N5S.HI/c1-12(2)11-19-5-7-20(8-6-19)15(16-4)18-10-14-17-9-13(3)21-14;/h9,12H,5-8,10-11H2,1-4H3,(H,16,18);1H
InChIKeyIVMLPGLQXRASHO-UHFFFAOYSA-N
XLogP2.42
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[2-(azepan-1-yl)-2-oxoethyl]-N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111520823
methyl 1-[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111513457
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111514832
4-[(2,5-dimethoxyphenyl)methyl]-N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111514878
4-(3-chlorophenyl)-N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111511825
2-[4-[N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 111517553
2-methyl-1-(2-methylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511667
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379247
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111516146
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
N-amino-N'-methyl-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104881910

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111516142) is N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ncc(C)s1)N1CCN(CC(C)C)CC1.I.
What is the InChIKey of N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is IVMLPGLQXRASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S.HI/c1-12(2)11-19-5-7-20(8-6-19)15(16-4)18-10-14-17-9-13(3)21-14;/h9,12H,5-8,10-11H2,1-4H3,(H,16,18);1H.
What are the key properties of N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 437.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111516142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).