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CID 47471987

PubChem CID
47471987
Structure
CID 47471987_small.png
Molecular Formula
Status
Non-live
Molecular Weight
280.4 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47471987.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-cycloheptyl-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

2.1.2 InChI

InChI=1S/C15H24N2OS/c1-11(2)9-14-17-13(10-19-14)15(18)16-12-7-5-3-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,18)

2.1.3 InChIKey

RANBXXBZVRIIJB-UHFFFAOYSA-N

2.1.4 SMILES

CC(C)CC1=NC(=CS1)C(=O)NC2CCCCCC2

2.2 Molecular Formula

C15H24N2OS

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
280.4 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
280.16093457 g/mol
Property Name
Monoisotopic Mass
Property Value
280.16093457 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
288
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

5 Information Sources

CONTENTS