Home Other Building Blocks 2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole

2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole

CAS No.:
1316224-87-9
Catalog Number:
AG01BT2V
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
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Product Description
Catalog Number:
AG01BT2V
Chemical Name:
2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole
CAS Number:
1316224-87-9
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
MDL Number:
MFCD19691617
IUPAC Name:
2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C8H12N2S/c1-2-9-6-7(1)5-8-10-3-4-11-8/h3-4,7,9H,1-2,5-6H2
InChI Key:
QPBSYJHLSRVXPD-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Cc1nccs1
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.072g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.258g/mol
Monoisotopic Mass:
168.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties