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Summary Geometry Related PDB entries

F2J

Summary

Name:	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
Formula:	C18 H20 N4 S
Formal charge:	0
Formula weight:	324.443 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
OpenEye OEToolkits	2.0.6	~{N}-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4
InChI	InChI	1.03	InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
InChIKey	InChI	1.03	XLCWIOAUURXLIX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N=C(Nc1ccc2n(ccc2c1)C3CCNCC3)c4sccc4
SMILES	CACTVS	3.385	N=C(Nc1ccc2n(ccc2c1)C3CCNCC3)c4sccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4
SMILES	OpenEye OEToolkits	2.0.6	c1cc(sc1)C(=N)Nc2ccc3c(c2)ccn3C4CCNCC4

218500

PDB entries from 2024-04-17

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