L5X

3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol

Created:2022-02-28
Last modified:  2022-10-05

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count27
Aromatic Bond Count6
2D diagram of L5X

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Chemical Component Summary

Name3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol
Systematic Name (OpenEye OEToolkits)3-[[(5~{S})-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol
FormulaC10 H12 N2 O S
Molecular Weight208.28
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1CN=C(Nc2cc(O)ccc2)S1
SMILESCACTVS3.385C[CH]1CN=C(Nc2cccc(O)c2)S1
SMILESOpenEye OEToolkits2.0.7CC1CN=C(S1)Nc2cccc(c2)O
Canonical SMILESCACTVS3.385 C[C@H]1CN=C(Nc2cccc(O)c2)S1
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H]1CN=C(S1)Nc2cccc(c2)O
InChIInChI1.03 InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyInChI1.03 WAICHRCMCQSSEP-ZETCQYMHSA-N

Related Resource References

Resource NameReference
PubChem 818363