CID 39400681
PubChem CID
39400681
Structure
Molecular Formula
Status
Non-live
Molecular Weight
293.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[4-(2,5-dimethoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methylazanium
InChI=1S/C15H20N2O2S/c1-9(2)15-14(17-13(8-16)20-15)11-7-10(18-3)5-6-12(11)19-4/h5-7,9H,8,16H2,1-4H3/p+1
PVTBDBULCFBHBS-UHFFFAOYSA-O
CC(C)C1=C(N=C(S1)C[NH3+])C2=C(C=CC(=C2)OC)OC
C15H21N2O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
293.4 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
5
Property Name
Exact Mass
Property Value
293.13237409 g/mol
Property Name
Monoisotopic Mass
Property Value
293.13237409 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
304
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