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Summary Geometry Related PDB entries

JUX

Summary

Name:	N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide
Formula:	C19 H18 N4 O S2
Formal charge:	0
Formula weight:	382.502 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide
OpenEye OEToolkits	2.0.7	~{N}-cyclopropyl-~{N}-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CSc1ccc(nn1)c1ccccc1)N(C1CC1)c1nc(C)cs1
InChI	InChI	1.03	InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3
InChIKey	InChI	1.03	DPONSKCACOZTGN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4
SMILES	CACTVS	3.385	Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4

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