CID 39177621
PubChem CID
39177621
Structure
Molecular Formula
Status
Non-live
Molecular Weight
280.34 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[2-[[5-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium
InChI=1S/C13H14FN3OS/c1-2-10-12(8-3-5-9(14)6-4-8)17-13(19-10)16-11(18)7-15/h3-6H,2,7,15H2,1H3,(H,16,17,18)/p+1
AUDDSGNDVKBGSC-UHFFFAOYSA-O
CCC1=C(N=C(S1)NC(=O)C[NH3+])C2=CC=C(C=C2)F
C13H15FN3OS+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.34 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
280.09198645 g/mol
Property Name
Monoisotopic Mass
Property Value
280.09198645 g/mol
Property Name
Topological Polar Surface Area
Property Value
97.9 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
310
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