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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxylicacid, 2-(ethylamino)-4-methyl-
338402-71-4 structure

5-Thiazolecarboxylicacid, 2-(ethylamino)-4-methyl-

Iupac Name:3-(2,6-dichlorophenyl)-5-[2-(4-methylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
CAS No.:338402-71-4
EINECS(EC#): 259-485-4
Molecular Weight:370.233
Molecular Formula:C60H84N2O22 (isomer)
Names and Identifiers
Synonyms

2-(Ethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid 2-(ethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid(SALTDATA: FREE) 2-ETHYLAMINO-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID CHEMBRDG-BB 4010427

Inchi
InChI=1S/C19H13Cl2N3O/c1-12-5-7-13(8-6-12)23-10-9-17-14(11-22)19(24-25-17)18-15(20)3-2-4-16(18)21/h2-10,23H,1H3
InChkey
HQXQJJCBTYNUTC-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)NC=CC2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)C#N
Properties
Flash Point
322.9°C
Computational chemical data
  • Molecular Weight:370.233g/mol
  • Molecular Formula:C60H84N2O22
  • Compound Is Canonicalized:True
  • Exact Mass:369.044
  • Monoisotopic Mass:369.044
  • Complexity:502
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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