4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C16H21FIN5S — CID 119130141

IUPAC4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nccs1)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C16H20FN5S.HI/c1-18-16(20-12-15-19-6-11-23-15)22-9-7-21(8-10-22)14-5-3-2-4-13(14)17;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H
InChIKeyFXWKFMQWEISOAJ-UHFFFAOYSA-N
MW461.35 g/mol
LogP2.80
Rot. Bonds3

About 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119130141) has the molecular formula C16H21FIN5S and a molecular weight of 461.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119130141
Molecular FormulaC16H21FIN5S
Molecular Weight461.35 g/mol
Exact Mass461.05
IUPAC Name4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nccs1)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C16H20FN5S.HI/c1-18-16(20-12-15-19-6-11-23-15)22-9-7-21(8-10-22)14-5-3-2-4-13(14)17;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H
InChIKeyFXWKFMQWEISOAJ-UHFFFAOYSA-N
XLogP2.80
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 52.80
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

N'-methyl-4-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130747
4-(2-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111148470
4-(2-fluorophenyl)-N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111148715
4-(2-fluorophenyl)-N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111148764
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
4-(2-fluorophenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148870
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111149253
4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119129904
4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111148783
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111149038
4-(2-fluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111148823

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 119130141) is 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1nccs1)N1CCN(c2ccccc2F)CC1.I.
What is the InChIKey of 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is FXWKFMQWEISOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5S.HI/c1-18-16(20-12-15-19-6-11-23-15)22-9-7-21(8-10-22)14-5-3-2-4-13(14)17;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H.
What are the key properties of 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 461.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).