5UP

2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide

Created:	2015-12-03
Last modified:	2016-01-20

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1 entries where 5UP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of 5UP

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Chemical Component Summary
Name	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
Formula	C₉ H₈ N₄ O S
Molecular Weight	220.251
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccnc(c1)c2csc(N)n2
SMILES	OpenEye OEToolkits	2.0.4	c1cnc(cc1C(=O)N)c2csc(n2)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccnc(c1)c2csc(N)n2
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cnc(cc1C(=O)N)c2csc(n2)N
InChI	InChI	1.03	InChI=1S/C9H8N4OS/c10-8(14)5-1-2-12-6(3-5)7-4-15-9(11)13-7/h1-4H,(H2,10,14)(H2,11,13)
InChIKey	InChI	1.03	YCMAFYWOEDTAQB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	112499933
ChEMBL	CHEMBL3775782

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