UUL

4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol

Created:2012-10-17
Last modified:  2013-05-01

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count17
2D diagram of UUL

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Chemical Component Summary

Name4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
Systematic Name (OpenEye OEToolkits)4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
FormulaC15 H11 Cl N2 O S
Molecular Weight302.779
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccc(c1nc(sc1)Nc2ccc(O)cc2)cc3
SMILESCACTVS3.370Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl
Canonical SMILESCACTVS3.370 Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl
InChIInChI1.03 InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKeyInChI1.03 ZFGXZJKLOFCECI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1076555
PubChem 753704
ChEMBL CHEMBL1076555
ChEBI CHEBI:92375
CCDC/CSD XOVJEZ