Home Other Building Blocks 5-methyl-2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole

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

CAS No.:
1503466-63-4
Catalog Number:
AG01C99S
Molecular Formula:
C9H14N2S
Molecular Weight:
182.2859
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Product Description
Catalog Number:
AG01C99S
Chemical Name:
5-methyl-2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole
CAS Number:
1503466-63-4
Molecular Formula:
C9H14N2S
Molecular Weight:
182.2859
MDL Number:
MFCD31559624
IUPAC Name:
5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C9H14N2S/c1-7-5-11-9(12-7)4-8-2-3-10-6-8/h5,8,10H,2-4,6H2,1H3
InChI Key:
CHLJKWYCIDLUKM-UHFFFAOYSA-N
SMILES:
Cc1cnc(s1)CC1CNCC1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.088g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.285g/mol
Monoisotopic Mass:
182.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties