About (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
(5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 158620136) has the molecular formula C112H116Cl6FN29O10S11
and a molecular weight of 2612.81 g/mol. Its IUPAC name is (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine.
Frequently Asked Questions
What is the IUPAC name of (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine (CID 158620136) is (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine is C=S1(=O)C[C@@](C)(c2cc(-c3cc(-c4ccccc4)no3)ccc2F)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3[nH]cnc3-c3ccccc3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3cc(-c4ccccc4)no3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3ccc(C4=NCCO4)[nH]3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3cn(-c4ccccc4)nn3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2Cl)N=C(N)N1C.
What is the InChIKey of (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is HXWVWUCNIBHQHV-JMDRQPHQSA-N. The full InChI is InChI=1S/C21H21FN4O2S.C19H20ClN5OS2.C19H19ClN4O2S2.C18H17Cl2N5O2S2.C18H19ClN6OS2.C17H20ClN5O2S2/c1-21(13-29(3,27)26(2)20(23)24-21)16-11-15(9-10-17(16)22)19-12-18(25-28-19)14-7-5-4-6-8-14;1-19(10-28(3,26)25(2)18(21)24-19)17-13(20)9-14(27-17)16-15(22-11-23-16)12-7-5-4-6-8-12;1-19(11-28(3,25)24(2)18(21)22-19)17-13(20)9-16(27-17)15-10-14(23-26-15)12-7-5-4-6-8-12;1-18(9-29(3,26)25(2)17(21)22-18)14-12(20)8-13(28-14)16-24-23-15(27-16)10-4-6-11(19)7-5-10;1-18(11-28(3,26)24(2)17(20)21-18)16-13(19)9-15(27-16)14-10-25(23-22-14)12-7-5-4-6-8-12;1-17(9-27(3,24)23(2)16(19)22-17)14-10(18)8-13(26-14)11-4-5-12(21-11)15-20-6-7-25-15/h4-12H,3,13H2,1-2H3,(H2,23,24);4-9,11H,3,10H2,1-2H3,(H2,21,24)(H,22,23);4-10H,3,11H2,1-2H3,(H2,21,22);4-8H,3,9H2,1-2H3,(H2,21,22);4-10H,3,11H2,1-2H3,(H2,20,21);4-5,8,21H,3,6-7,9H2,1-2H3,(H2,19,22)/t21-,29?;2*19-,28?;18-,29?;18-,28?;17-,27?/m000000/s1.
What are the key properties of (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2612.81 g/mol, XLogP of 19.56, 18 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-[5-(4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(4-phenyl-1H-imidazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1-phenyltriazol-4-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-(3-phenyl-1,2-oxazol-5-yl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 158620136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).