S0J

4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine

Created: 2013-11-07
Last modified:  2014-04-16

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count40
Aromatic Bond Count10
2D diagram of S0J

Chemical Component Summary

Name4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine
Systematic Name (OpenEye OEToolkits)4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
FormulaC14 H19 N3 O S
Molecular Weight277.385
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N
SMILESCACTVS3.385Cc1cc(c(C)n1C[CH]2CCCO2)c3csc(N)n3
SMILESOpenEye OEToolkits1.7.6Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N
Canonical SMILESCACTVS3.385 Cc1cc(c(C)n1C[C@H]2CCCO2)c3csc(N)n3
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N
InChIInChI1.03 InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)/t11-/m1/s1
InChIKeyInChI1.03 IUSOSUNODUAXAY-LLVKDONJSA-N

Related Resource References

Resource NameReference
PubChem 2497363