RC2

N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide

Created:	2011-08-30
Last modified:	2011-08-30

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1 entries where RC2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	6

2D diagram of RC2

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Chemical Component Summary
Name	N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-N-[3-(5-oxidanylidene-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)phenyl]ethanamide
Formula	C₁₇ H₁₉ N₇ O₂ S
Molecular Weight	385.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C2S1)N3CCNCC3)c4)CN
SMILES	CACTVS	3.370	NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4
SMILES	OpenEye OEToolkits	1.7.2	c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4
Canonical SMILES	CACTVS	3.370	NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4
InChI	InChI	1.03	InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)
InChIKey	InChI	1.03	ITNCYPYTFKVCFI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44820665
ChEMBL	CHEMBL1472460

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