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129865-52-7

129865-52-7 | 5-Thiazolecarboxaldehyde, 2-(1-piperidinyl)-

CAS No: 129865-52-7 Catalog No: AG000TRB MDL No:MFCD01568826

Product Description

Catalog Number:
AG000TRB
Chemical Name:
5-Thiazolecarboxaldehyde, 2-(1-piperidinyl)-
CAS Number:
129865-52-7
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD01568826
IUPAC Name:
2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChI Key:
NWOAHSDBLWFXAG-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)N1CCCCC1

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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