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Summary Geometry Related PDB entries

JT0

Summary

Name:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
Formula:	C16 H19 Cl N2 O3 S
Formal charge:	0
Formula weight:	354.852 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
OpenEye OEToolkits	2.0.7	2-chloranyl-~{N}-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-~{N}-(3-methoxypropyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2
InChI	InChI	1.03	InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKey	InChI	1.03	KZMAWJRXKGLWGS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCCN(C(=O)CCl)c1scc(n1)c2ccc(OC)cc2
SMILES	CACTVS	3.385	COCCCN(C(=O)CCl)c1scc(n1)c2ccc(OC)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl

218500

PDB entries from 2024-04-17

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