About 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 159847114) has the molecular formula C108H109Cl5N32O13S10
and a molecular weight of 2561.21 g/mol. Its IUPAC name is 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine (CID 159847114) is 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine is C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(-n5cccn5)cc4)o3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(-n5cnnn5)cc4)o3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(N5CCCC5=O)cc4)o3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(OCCC)cc4)o3)cc2Cl)N=C(N)N1C.C=S1(=O)C[C@@](C)(c2sc(-c3nnc(-c4ccc(OCc5ccccc5)cc4)o3)cc2Cl)N=C(N)N1C.
What is the InChIKey of 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is NPLHTUGLLPVNHR-WRYBNNPESA-N. The full InChI is InChI=1S/C25H24ClN5O3S2.C22H23ClN6O3S2.C21H20ClN7O2S2.C21H24ClN5O3S2.C19H18ClN9O2S2/c1-25(15-36(3,32)31(2)24(27)28-25)21-19(26)13-20(35-21)23-30-29-22(34-23)17-9-11-18(12-10-17)33-14-16-7-5-4-6-8-16;1-22(12-34(3,31)28(2)21(24)25-22)18-15(23)11-16(33-18)20-27-26-19(32-20)13-6-8-14(9-7-13)29-10-4-5-17(29)30;1-21(12-33(3,30)28(2)20(23)25-21)17-15(22)11-16(32-17)19-27-26-18(31-19)13-5-7-14(8-6-13)29-10-4-9-24-29;1-5-10-29-14-8-6-13(7-9-14)18-25-26-19(30-18)16-11-15(22)17(31-16)21(2)12-32(4,28)27(3)20(23)24-21;1-19(9-33(3,30)28(2)18(21)23-19)15-13(20)8-14(32-15)17-25-24-16(31-17)11-4-6-12(7-5-11)29-10-22-26-27-29/h4-13H,3,14-15H2,1-2H3,(H2,27,28);6-9,11H,3-5,10,12H2,1-2H3,(H2,24,25);4-11H,3,12H2,1-2H3,(H2,23,25);6-9,11H,4-5,10,12H2,1-3H3,(H2,23,24);4-8,10H,3,9H2,1-2H3,(H2,21,23)/t25-,36?;22-,34?;21-,33?;21-,32?;19-,33?/m00000/s1.
What are the key properties of 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine?
1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2561.21 g/mol, XLogP of 17.78, 24 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-2-one;(5S)-5-[3-chloro-5-[5-(4-phenylmethoxyphenyl)-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-propoxyphenyl)-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-pyrazol-1-ylphenyl)-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-(tetrazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 159847114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).