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Summary Geometry Related PDB entries

5GB

Summary

Name:	4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Formula:	C18 H14 N4 S
Formal charge:	0
Formula weight:	318.396 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4
InChI	InChI	1.03	InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22)
InChIKey	InChI	1.03	DKLCXLVLUXDLJI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3
SMILES	CACTVS	3.385	Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4
SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4

221716

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