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

8V7

Summary

Name:	2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
Formula:	C14 H14 N6 O S
Formal charge:	0
Formula weight:	314.366 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
OpenEye OEToolkits	2.0.6	2-(4-propan-2-yl-1,2,4-triazol-3-yl)-~{N}-pyridin-2-yl-1,3-thiazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C
InChI	InChI	1.03	InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21)
InChIKey	InChI	1.03	ZHXCEXPJHPAARV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1cnnc1c2scc(n2)C(=O)Nc3ccccn3
SMILES	CACTVS	3.385	CC(C)n1cnnc1c2scc(n2)C(=O)Nc3ccccn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3
SMILES	OpenEye OEToolkits	2.0.6	CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon