N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide

C18H21F3N4S — CID 111820886

IUPACN-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
SMILESFC(F)(F)c1csc(CC/N=C(/Nc2ccccc2)N2CCCCC2)n1
InChIInChI=1S/C18H21F3N4S/c19-18(20,21)15-13-26-16(24-15)9-10-22-17(25-11-5-2-6-12-25)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,22,23)
InChIKeyIYDQPDHTCMOZFB-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.66
Rot. Bonds4

About N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide

N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide (PubChem CID 111820886) has the molecular formula C18H21F3N4S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
PubChem CID111820886
Molecular FormulaC18H21F3N4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC NameN-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
SMILESFC(F)(F)c1csc(CC/N=C(/Nc2ccccc2)N2CCCCC2)n1
InChIInChI=1S/C18H21F3N4S/c19-18(20,21)15-13-26-16(24-15)9-10-22-17(25-11-5-2-6-12-25)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,22,23)
InChIKeyIYDQPDHTCMOZFB-UHFFFAOYSA-N
XLogP4.66
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.66
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

1-phenyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111478539
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N-phenyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111812637
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111817264
N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111478527
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
N-phenyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide
CID 119119157
N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111040187
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide (CID 111820886) is N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide is FC(F)(F)c1csc(CC/N=C(/Nc2ccccc2)N2CCCCC2)n1.
What is the InChIKey of N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide?
The InChIKey is IYDQPDHTCMOZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4S/c19-18(20,21)15-13-26-16(24-15)9-10-22-17(25-11-5-2-6-12-25)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,22,23).
What are the key properties of N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide?
N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide has a molecular weight of 382.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111820886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).