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

V3O

Summary

Name:	N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
Formula:	C15 H13 Cl N4 O S2
Formal charge:	0
Formula weight:	364.873 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
OpenEye OEToolkits	2.0.7	~{N}-[5-[2-[(4-chlorophenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1
InChI	InChI	1.06	InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
InChIKey	InChI	1.06	XDADMRNUKRNNLA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2
SMILES	CACTVS	3.385	CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl

221371

PDB entries from 2024-06-19

PDB statistics

PDBj update info

Contact PDBj

numon