CID 47482083
PubChem CID
47482083
Structure
Molecular Formula
Status
Non-live
Molecular Weight
267.39 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
InChI=1S/C13H21N3OS/c1-3-16-6-4-5-11(8-16)7-14-13(17)12-9-18-10(2)15-12/h9,11H,3-8H2,1-2H3,(H,14,17)
ZRXYDIIRJANAND-UHFFFAOYSA-N
CCN1CCCC(C1)CNC(=O)C2=CSC(=N2)C
C13H21N3OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
267.39 g/mol
Property Name
XLogP3-AA
Property Value
2.1
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
267.14053348 g/mol
Property Name
Monoisotopic Mass
Property Value
267.14053348 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
287
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
CONTENTS