X35

[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone

Created:	2011-02-25
Last modified:	2012-10-26

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1 entries where X35 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of X35

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Chemical Component Summary
Name	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-yl-methanone
Formula	C₁₂ H₁₂ N₄ O S
Molecular Weight	260.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(nc1N)NC\C=C)c2cccnc2
SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2cccnc2
SMILES	OpenEye OEToolkits	1.7.0	C=CCNc1nc(c(s1)C(=O)c2cccnc2)N
Canonical SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	C=CCNc1nc(c(s1)C(=O)c2cccnc2)N
InChI	InChI	1.03	InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16)
InChIKey	InChI	1.03	QNNXJIYSLIKTDV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71661878
ChEMBL	CHEMBL2377860

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