English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1AZB

Summary

Name:	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide
Formula:	C18 H16 F N5 O S
Formal charge:	0
Formula weight:	369.416 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide
OpenEye OEToolkits	2.0.7	~{N}-[3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluoranyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(NC(N)=N)sc1c1cccc(NC(=O)c2ccc(F)cc2)c1
InChI	InChI	1.06	InChI=1S/C18H16FN5OS/c1-10-15(26-18(22-10)24-17(20)21)12-3-2-4-14(9-12)23-16(25)11-5-7-13(19)8-6-11/h2-9H,1H3,(H,23,25)(H4,20,21,22,24)
InChIKey	InChI	1.06	HULFYSCAJVTAAR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc(NC(N)=N)sc1c2cccc(NC(=O)c3ccc(F)cc3)c2
SMILES	CACTVS	3.385	Cc1nc(NC(N)=N)sc1c2cccc(NC(=O)c3ccc(F)cc3)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(/N)\Nc1nc(c(s1)c2cccc(c2)NC(=O)c3ccc(cc3)F)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=N)N)c2cccc(c2)NC(=O)c3ccc(cc3)F

247947

PDB entries from 2026-01-21

PDB statistics

PDBj update info

Contact PDBj

numon