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Summary Geometry Related PDB entries

P41

Summary

Name:	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Formula:	C19 H16 F N3 O S
Formal charge:	0
Formula weight:	353.413 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
OpenEye OEToolkits	1.5.0	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C
SMILES_CANONICAL	CACTVS	3.341	CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F
SMILES	CACTVS	3.341	CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F
SMILES	OpenEye OEToolkits	1.5.0	CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F
InChI	InChI	1.03	InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
InChIKey	InChI	1.03	FQYJTHIYAQQJAB-UHFFFAOYSA-N

248636

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