N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide

C18H24N4S — CID 111817264

IUPACN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESCc1cnc(CC/N=C(/Nc2ccccc2)N2CCCCC2)s1
InChIInChI=1S/C18H24N4S/c1-15-14-20-17(23-15)10-11-19-18(22-12-6-3-7-13-22)21-16-8-4-2-5-9-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21)
InChIKeyDFLHQNIMWINQCW-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.95
Rot. Bonds4

About N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide

N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111817264) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111817264
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESCc1cnc(CC/N=C(/Nc2ccccc2)N2CCCCC2)s1
InChIInChI=1S/C18H24N4S/c1-15-14-20-17(23-15)10-11-19-18(22-12-6-3-7-13-22)21-16-8-4-2-5-9-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21)
InChIKeyDFLHQNIMWINQCW-UHFFFAOYSA-N
XLogP3.95
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.95
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'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
CID 111820886
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-phenyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide
CID 119119157
N-phenyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111812637
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide (CID 111817264) is N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide is Cc1cnc(CC/N=C(/Nc2ccccc2)N2CCCCC2)s1.
What is the InChIKey of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is DFLHQNIMWINQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-15-14-20-17(23-15)10-11-19-18(22-12-6-3-7-13-22)21-16-8-4-2-5-9-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21).
What are the key properties of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide?
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 328.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111817264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).