CID 47431017
PubChem CID
47431017
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(5-benzyl-1,3-thiazol-2-yl)-2-propoxyacetamide
InChI=1S/C15H18N2O2S/c1-2-8-19-11-14(18)17-15-16-10-13(20-15)9-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,16,17,18)
WGCWJWUCBYTTJC-UHFFFAOYSA-N
CCCOCC(=O)NC1=NC=C(S1)CC2=CC=CC=C2
C15H18N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.4 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
290.10889899 g/mol
Property Name
Monoisotopic Mass
Property Value
290.10889899 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
296
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS