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CID 47472134

PubChem CID
47472134
Structure
CID 47472134_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 47472134.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C15H24N2OS/c1-10(2)8-14-17-13(9-19-14)15(18)16-12-6-4-11(3)5-7-12/h9-12H,4-8H2,1-3H3,(H,16,18)

2.1.3 InChIKey

CKMZSNQKVWCYHX-UHFFFAOYSA-N

2.1.4 SMILES

CC1CCC(CC1)NC(=O)C2=CSC(=N2)CC(C)C

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
4.3
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
301
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