N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C19H24FN5S — CID 119156818

IUPACN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1cc(F)ccc1SC)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24FN5S/c1-21-19(23-14-15-13-16(20)6-7-17(15)26-2)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyCYAGCEILCLXYJN-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.84
Rot. Bonds4

About N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 119156818) has the molecular formula C19H24FN5S and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID119156818
Molecular FormulaC19H24FN5S
Molecular Weight373.50 g/mol
Exact Mass373.17
IUPAC NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1cc(F)ccc1SC)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24FN5S/c1-21-19(23-14-15-13-16(20)6-7-17(15)26-2)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyCYAGCEILCLXYJN-UHFFFAOYSA-N
XLogP2.84
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.84
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'}

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221387
N'-methyl-N-[(2-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219180
N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219330
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N'-methyl-4-pyridin-2-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111221689
N-[3-(4-fluorophenoxy)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220277
N'-methyl-N-[(2-nitrophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220677
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221687
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119154696
N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221474
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219559

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 119156818) is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is C/N=C(\NCc1cc(F)ccc1SC)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is CYAGCEILCLXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5S/c1-21-19(23-14-15-13-16(20)6-7-17(15)26-2)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 373.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119156818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).