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 | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 1 |
Bond Count | 40 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 4-{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 |
Formula | C14 H19 N3 O S |
Molecular Weight | 277.385 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N |
SMILES | CACTVS | 3.385 | Cc1cc(c(C)n1C[CH]2CCCO2)c3csc(N)n3 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(c(C)n1C[C@H]2CCCO2)c3csc(N)n3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | IUSOSUNODUAXAY-LLVKDONJSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2497363 |