Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, methyl ester
5529-78-2 structure

5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, methyl ester

Iupac Name:N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CAS No.:5529-78-2
EINECS(EC#): 1533716-785-6
Molecular Weight:367.423
Molecular Formula:C8H9N3O (isomer)
Names and Identifiers
Synonyms

5-thiazoleacetic acid 4-(4-chlorophenyl)-2-(((4-(dimethylamino)phenyl )methyl)amino)-,methyl ester 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(((4-(dimethylamino)phenyl )methyl)amino)-, methyl ester 5-thiazoleacetic acid, 4-(4-chlorophenyl)-2-(((4-(dimethylamino)phenyl)methyl)amino)-, methyl ester 5-thiazoleacetic acid, 4-(p-chlorophenyl)-2-(((p-dimethylamino)benzyl)amino)-, methyl ester 5-thiazoleaceticacid,4- -2-(((4- -,methylester AC1MHU9V DTXSID90225240 HE219635 LS-150690 methyl 2-[4-(4-chlorophenyl)-2-[(4-dimethylaminophenyl)methylamino]-1,3-thiazol-5-yl]acetate methyl 2-[4-(4-chlorophenyl)-2-[[4-(dimethylamino)phenyl]met

Inchi
InChI=1S/C19H17N3O3S/c1-10-14(16(22-25-10)11-6-3-2-4-7-11)18(24)21-19-15(17(20)23)12-8-5-9-13(12)26-19/h2-4,6-7H,5,8-9H2,1H3,(H2,20,23)(H,21,24)
InChkey
RVOPBSQZSJLXTE-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N
Properties
Refractive Index
1.685
Flash Point
°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:367.423g/mol
  • Molecular Formula:C8H9N3O
  • Compound Is Canonicalized:True
  • Exact Mass:367.099
  • Monoisotopic Mass:367.099
  • Complexity:554
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<