N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C19H24N4S — CID 119139670

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCc1cnc(CN/C(=N\C)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C19H24N4S/c1-3-17-13-21-18(24-17)14-22-19(20-2)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9,13H,3,10-12,14H2,1-2H3,(H,20,22)
InChIKeySTUOKRUPIXSVNT-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.57
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 119139670) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID119139670
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCc1cnc(CN/C(=N\C)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C19H24N4S/c1-3-17-13-21-18(24-17)14-22-19(20-2)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9,13H,3,10-12,14H2,1-2H3,(H,20,22)
InChIKeySTUOKRUPIXSVNT-UHFFFAOYSA-N
XLogP3.57
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-methyl-4-phenyl-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263135
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131278
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441593
N-[(2-ethoxy-4-pyridinyl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263264
N-[[4-(methoxymethyl)phenyl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263113
N'-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 119131235
N-[(2-methoxy-4-pyridinyl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263966
N-methyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131233
N'-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263738
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263541
N-cyclohexyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131285
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379247

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 119139670) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCc1cnc(CN/C(=N\C)N2CC=C(c3ccccc3)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is STUOKRUPIXSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-3-17-13-21-18(24-17)14-22-19(20-2)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9,13H,3,10-12,14H2,1-2H3,(H,20,22).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 340.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 119139670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).