CID 47472095
PubChem CID
47472095
Structure
Molecular Formula
Status
Non-live
Molecular Weight
295.40 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
InChI=1S/C14H21N3O2S/c1-9(2)7-12-16-11(8-20-12)14(19)17-5-3-10(4-6-17)13(15)18/h8-10H,3-7H2,1-2H3,(H2,15,18)
QRECKWURMXDXBW-UHFFFAOYSA-N
CC(C)CC1=NC(=CS1)C(=O)N2CCC(CC2)C(=O)N
C14H21N3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
295.40 g/mol
Property Name
XLogP3-AA
Property Value
1.7
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
295.13544809 g/mol
Property Name
Monoisotopic Mass
Property Value
295.13544809 g/mol
Property Name
Topological Polar Surface Area
Property Value
105 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
367
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