CID 63183217
PubChem CID
63183217
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
289.4 g/mol
Dates
- Create:2012-10-22
Chemical Structure Depiction
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
InChI=1S/C14H15N3S2/c1-10-15-7-12(19-10)8-16-14-17-13(9-18-14)11-5-3-2-4-6-11/h2-7,13H,8-9H2,1H3,(H,16,17)
PRSDAKHKVQMLRJ-UHFFFAOYSA-N
Isomeric SMILES
CC1=NC=C(S1)CNC2=NC(CS2)C3=CC=CC=C3
C14H15N3S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
289.4 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
4
Property Name
Exact Mass
Property Value
289.07073984 g/mol
Property Name
Monoisotopic Mass
Property Value
289.07073984 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.8A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
329
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
1
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
Old substance
CONTENTS