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Summary Geometry Related PDB entries

5G9

Summary

Name:	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Synonyms:	GW780159X
Formula:	C17 H11 Cl N4 S
Formal charge:	0
Formula weight:	338.814 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
OpenEye OEToolkits	1.9.2	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4
InChI	InChI	1.03	InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
InChIKey	InChI	1.03	JVXFJMXCRSAZFH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4
SMILES	CACTVS	3.385	Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4

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PDB entries from 2024-07-17

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