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

C18H26IN5OS — CID 119129904

IUPAC4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)cs1)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C18H25N5OS.HI/c1-14-13-25-17(21-14)12-20-18(19-2)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24-3;/h4-7,13H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyRAQBHLXJUOVBLD-UHFFFAOYSA-N
MW487.41 g/mol
LogP2.98
Rot. Bonds4

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

4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119129904) has the molecular formula C18H26IN5OS and a molecular weight of 487.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119129904
Molecular FormulaC18H26IN5OS
Molecular Weight487.41 g/mol
Exact Mass487.09
IUPAC Name4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)cs1)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C18H25N5OS.HI/c1-14-13-25-17(21-14)12-20-18(19-2)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24-3;/h4-7,13H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyRAQBHLXJUOVBLD-UHFFFAOYSA-N
XLogP2.98
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109401140
4-(2-methoxyphenyl)-N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133328
N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
4-(2-fluorophenyl)-N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111148764
4-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133316
methyl 4-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111132525
N-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132617
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133585
4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130141
4-(2-methoxyphenyl)-N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111132665
methyl 3-[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propanoate
CID 111133525

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119129904) is 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1nc(C)cs1)N1CCN(c2ccccc2OC)CC1.I.
What is the InChIKey of 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is RAQBHLXJUOVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS.HI/c1-14-13-25-17(21-14)12-20-18(19-2)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24-3;/h4-7,13H,8-12H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 487.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119129904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).