N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide

C16H20N4S — CID 119119501

IUPACN-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/Cc2nccs2)N2CCCCC2)cc1
InChIInChI=1S/C16H20N4S/c1-3-7-14(8-4-1)19-16(20-10-5-2-6-11-20)18-13-15-17-9-12-21-15/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,18,19)
InChIKeyXBLRYTHRFRUUCM-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.60
Rot. Bonds3

About N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide

N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 119119501) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID119119501
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/Cc2nccs2)N2CCCCC2)cc1
InChIInChI=1S/C16H20N4S/c1-3-7-14(8-4-1)19-16(20-10-5-2-6-11-20)18-13-15-17-9-12-21-15/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,18,19)
InChIKeyXBLRYTHRFRUUCM-UHFFFAOYSA-N
XLogP3.60
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.60
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'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidine-1-carboximidamide
CID 122099280
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111817264
N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 120913464
N-phenyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 119119590
N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119152005
N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
CID 111820886
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide (CID 119119501) is N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide is c1ccc(N/C(=N/Cc2nccs2)N2CCCCC2)cc1.
What is the InChIKey of N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is XBLRYTHRFRUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-7-14(8-4-1)19-16(20-10-5-2-6-11-20)18-13-15-17-9-12-21-15/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,18,19).
What are the key properties of N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide?
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 300.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 119119501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).