CHEBI:90539 - 1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea

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ChEBI Name 1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea
ChEBI ID CHEBI:90539
Definition A member of the class of ureas obtained by formal condensation of the carboxy group of [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-amine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
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Formula C27H31N5O2S
Net Charge 0
Average Mass 489.634
Monoisotopic Mass 489.21985
InChI InChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33)
InChIKey MZGQVTBIULKWER-UHFFFAOYSA-N
SMILES CC=1C=CC(=CC1)N2N=C(C=C2NC(=O)NC3=NC(=CS3)CCOCC=4C=CC=CC4)C(C)(C)C
ChEBI Ontology
Outgoing 1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a 1,3-thiazoles (CHEBI:38418)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a N-arylimidazole (CHEBI:46901)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a benzyl ether (CHEBI:59859)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a ureas (CHEBI:47857)
IUPAC Name
N-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-N'-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Manual Xref Database
Z85 PDBeChem
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Registry Number Type Source
22288593 Reaxys Registry Number Reaxys
Last Modified
08 July 2016