Name: 2-PIPERIDIN-1-YL-THIAZOLE-5-CARBALDEHYDE
SKU: 129865-52-7

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Basic Information

Molecular Structure:
CAS No.:	129865-52-7
Name:	2-PIPERIDIN-1-YL-THIAZOLE-5-CARBALDEHYDE
Article Data:	3

Formula:	C₉H₁₂N₂OS
Molecular Weight:	196.273
Synonyms:	2-(Piperidin-1-yl)thiazole-5-carboxaldehyde;
Density:	1.257 g/cm³
Melting Point:	48.5-49.5 °C
Boiling Point:	342 °C at 760mmHg
Flash Point:	160.6 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	61.44000
LogP:	2.01090

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Specification

The CAS registry number of 5-Thiazolecarboxaldehyde,2-(1-piperidinyl)- is 129865-52-7. This chemical is also known as 2-(Piperidin-1-yl)thiazole-5-carbaldehyde. The molecular formula of it is C₉H₁₂N₂OS and molecular weight is 196.27. Its systematic name and IUPAC name are the same which is called 2-(piperidin-1-yl)-1,3-thiazole-5-carbaldehyde. This chemical that may cause inflammation to the skin or other mucous membranes.

Physical properties about 5-Thiazolecarboxaldehyde,2-(1-piperidinyl)- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 38.11; (8)ACD/KOC (pH 7.4): 58.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 54.29 cm³; (14)Molar Volume: 156 cm³; (15)Surface Tension: 56.7 dyne/cm; (16)Density: 1.257 g/cm³; (17)Flash Point: 160.6 °C; (18)Enthalpy of Vaporization: 58.57 kJ/mol; (19)Boiling Point: 342 °C at 760 mmHg.

Preparation: this chemical can be prepared by piperidine and 2-chlorothiazole-5-carbaldehyde. This reaction will need reagent LiOH and solvents tetrahydrofuran, H₂O. The reaction time is 20 hours. The yield is about 70 %.

5-Thiazolecarboxaldehyde,2-(1-piperidinyl)- can be prepared by piperidine and 2-chlorothiazole-5-carbaldehyde

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(nc1)N2CCCCC2
(2)InChI: InChI=1/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
(3)InChIKey: NWOAHSDBLWFXAG-UHFFFAOYAU