A1AXK

N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-(2-hydroxyethyl)thiourea

Created:2024-07-11
Last modified:  2025-03-26

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count3
Bond Count31
Aromatic Bond Count0
2D diagram of A1AXK

Chemical Component Summary

NameN-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-(2-hydroxyethyl)thiourea
Systematic Name (OpenEye OEToolkits)1-[(1~{R},2~{S},4~{R})-2-bicyclo[2.2.1]hept-5-enyl]-3-(2-hydroxyethyl)thiourea
FormulaC10 H16 N2 O S
Molecular Weight212.312
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCNC(=S)NC1CC2C=CC1C2
SMILESCACTVS3.385OCCNC(=S)N[CH]1C[CH]2C[CH]1C=C2
SMILESOpenEye OEToolkits2.0.7C1C2CC(C1C=C2)NC(=S)NCCO
Canonical SMILESCACTVS3.385 OCCNC(=S)N[C@H]1C[C@H]2C[C@@H]1C=C2
Canonical SMILESOpenEye OEToolkits2.0.7 C1[C@@H]2C[C@@H]([C@H]1C=C2)NC(=S)NCCO
InChIInChI1.06 InChI=1S/C10H16N2OS/c13-4-3-11-10(14)12-9-6-7-1-2-8(9)5-7/h1-2,7-9,13H,3-6H2,(H2,11,12,14)/t7-,8+,9-/m1/s1
InChIKeyInChI1.06 TZACMRYOUIUTFX-HRDYMLBCSA-N

Related Resource References

Resource NameReference
PubChem 20023477