CID 47476580
PubChem CID
47476580
Structure
Molecular Formula
Status
Non-live
Molecular Weight
295.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2-[cyclopentylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
InChI=1S/C15H25N3OS/c1-10-12(3)20-15(16-10)17-14(19)11(2)18(4)9-13-7-5-6-8-13/h11,13H,5-9H2,1-4H3,(H,16,17,19)
PIQDHRYORLFPCD-UHFFFAOYSA-N
CC1=C(SC(=N1)NC(=O)C(C)N(C)CC2CCCC2)C
C15H25N3OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
295.4 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
5
Property Name
Exact Mass
Property Value
295.17183360 g/mol
Property Name
Monoisotopic Mass
Property Value
295.17183360 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
333
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