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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-5-ylmethyl)-2-oxoeth...
65894-83-9 structure

2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-5-ylmethyl)-2-oxoethyl]-6-oxo-

Iupac Name:4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
CAS No.:65894-83-9
EINECS(EC#): 240-146-4
Molecular Weight:171.302
Molecular Formula:C24H26N2O5 (isomer)
Names and Identifiers
Synonyms

2-piperidinecarboxamide, n-(2-(4-(aminocarbonyl)-3-thiazolidinyl)-1-(1h- imidazol-4-ylmethyl)-2-oxoethyl)-6-oxo- 2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]-6-oxo-(9CI) 3-[3-(1h-imidazol-5-yl)-2-[(6-oxopiperidine-2-carbonyl)amino]propanoyl]-1,3-thiazolidine-4-carboxamide AC1L3XP1 AC1Q5J50 AM029315 n-[1-(4-carbamoyl-1,3-thiazolidin-3-yl)-3-(1h-imidazol-4-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide SCHEMBL13322941

Inchi
InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChkey
FDOISHJOXPONIV-UHFFFAOYSA-N
Canonical Smiles
CC1C(=NC(S1)CC(C)C)C
Properties
Density
1.047
Refractive Index
n20/D 1.4870(lit.)
Flash Point
350.3°C
HS Code
2934100090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:171.302g/mol
  • Molecular Formula:C24H26N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:171.108
  • Monoisotopic Mass:171.108
  • Complexity:163
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.7A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByAABAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAQAAAAADQjFQASCAAIAAAgg AQAgBAAAAABAABAAAAAwAAAAAAAggAAAAAAAAAAgAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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