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6OZ

Summary
Name:2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
Formula:C17 H19 N3 S
Formal charge:0
Formula weight:297.418 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
OpenEye OEToolkits2.0.42,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1~{H}-pyrazol-5-yl]-1,3-thiazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccccc1)C(c2nnc(c2)c3c(C)nc(C)s3)(C)C
InChIInChI1.03InChI=1S/C17H19N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(3,4)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,19,20)
InChIKeyInChI1.03FAEGQXWWILYIST-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1sc(c2[nH]nc(c2)C(C)(C)c3ccccc3)c(C)n1
SMILESCACTVS3.385Cc1sc(c2[nH]nc(c2)C(C)(C)c3ccccc3)c(C)n1
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3
SMILESOpenEye OEToolkits2.0.4Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3

221051

PDB entries from 2024-06-12

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