CID 45017444
PubChem CID
45017444
Structure
Molecular Formula
Status
Non-live
Molecular Weight
396.5 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI=1S/C16H24N6O2S2/c1-4-12-11(2)26-15(17-12)18-14(23)10-25-16-20-19-13(21(16)3)9-22-5-7-24-8-6-22/h4-10H2,1-3H3,(H,17,18,23)
BBSCVQMFLNBFRE-UHFFFAOYSA-N
CCC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3)C
C16H24N6O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
396.5 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
396.14021638 g/mol
Property Name
Monoisotopic Mass
Property Value
396.14021638 g/mol
Property Name
Topological Polar Surface Area
Property Value
139 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
468
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
Old substance
CONTENTS