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Summary Geometry Related PDB entries

6OZ

Summary

Name:	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
Formula:	C17 H19 N3 S
Formal charge:	0
Formula weight:	297.418 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
OpenEye OEToolkits	2.0.4	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1~{H}-pyrazol-5-yl]-1,3-thiazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccccc1)C(c2nnc(c2)c3c(C)nc(C)s3)(C)C
InChI	InChI	1.03	InChI=1S/C17H19N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(3,4)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,19,20)
InChIKey	InChI	1.03	FAEGQXWWILYIST-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1sc(c2[nH]nc(c2)C(C)(C)c3ccccc3)c(C)n1
SMILES	CACTVS	3.385	Cc1sc(c2[nH]nc(c2)C(C)(C)c3ccccc3)c(C)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.4	Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3

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