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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1 entries where S0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	10

2D diagram of S0J

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Chemical Component Summary
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
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
PubChem	2497363

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.