CID 18849865
PubChem CID
18849865
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
314.4 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
(5E)-2-(2-hydroxy-5-methylanilino)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
InChI=1S/C16H14N2O3S/c1-9-3-6-13(19)12(7-9)17-16-18-15(20)14(22-16)8-11-5-4-10(2)21-11/h3-8,19H,1-2H3,(H,17,18,20)/b14-8+
NHCCLNAFHGMOHG-RIYZIHGNSA-N
CC1=CC(=C(C=C1)O)NC2=NC(=O)/C(=C\C3=CC=C(O3)C)/S2
C16H14N2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
314.4 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
3
Property Name
Exact Mass
Property Value
314.07251349 g/mol
Property Name
Monoisotopic Mass
Property Value
314.07251349 g/mol
Property Name
Topological Polar Surface Area
Property Value
100 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
506
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
1
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
Old substance
Old substance
Old substance
CONTENTS