5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine

C187H157N41O10S9 — CID 157381001

IUPAC5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESC.COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)s4)cc3)ccnc2c1.COc1ccc2c(Oc3cccc(-c4nnc(Nc5cccc(C)c5)s4)c3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)s3)cc2)n1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)nc(N)n4)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc5ccccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4cc(N)nc(-c5c(C)cc(C)cc5C)n4)c3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccnc5ccccc45)c3)s2)c1
InChIInChI=1S/C28H26N6OS.2C25H20N4O2S.2C24H18N4OS.C21H16N6OS.C20H18N6OS2.C19H17N7OS.CH4/c1-16-7-5-9-21(13-16)30-28-34-33-27(36-28)20-8-6-10-22(14-20)35-24-15-23(29)31-26(32-24)25-18(3)11-17(2)12-19(25)4;1-16-5-3-7-18(13-16)27-25-29-28-24(32-25)17-6-4-8-20(14-17)31-23-11-12-26-22-15-19(30-2)9-10-21(22)23;1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-16-6-4-8-18(14-16)26-24-28-27-23(30-24)17-7-5-9-19(15-17)29-22-12-13-25-21-11-3-2-10-20(21)22;1-16-5-4-6-18(15-16)26-24-28-27-23(30-24)17-9-11-19(12-10-17)29-22-13-14-25-21-8-3-2-7-20(21)22;1-13-3-2-4-15(11-13)25-21-27-26-20(29-21)14-5-7-16(8-6-14)28-19-17-9-10-22-18(17)23-12-24-19;1-12-4-3-5-14(10-12)22-20-26-25-18(29-20)13-6-8-15(9-7-13)27-17-11-16(21)23-19(24-17)28-2;1-11-3-2-4-13(9-11)22-19-26-25-17(28-19)12-5-7-14(8-6-12)27-16-10-15(20)23-18(21)24-16;/h5-15H,1-4H3,(H,30,34)(H2,29,31,32);2*3-15H,1-2H3,(H,27,29);2*2-15H,1H3,(H,26,28);2-12H,1H3,(H,25,27)(H,22,23,24);3-11H,1-2H3,(H,22,26)(H2,21,23,24);2-10H,1H3,(H,22,26)(H4,20,21,23,24);1H4
InChIKeyBKWMQLFFJBPUHJ-UHFFFAOYSA-N
MW3427.19 g/mol
LogP48.53
Rot. Bonds44

About 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine

5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 157381001) has the molecular formula C187H157N41O10S9 and a molecular weight of 3427.19 g/mol. Its IUPAC name is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID157381001
Molecular FormulaC187H157N41O10S9
Molecular Weight3427.19 g/mol
Exact Mass3424.05
IUPAC Name5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESC.COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)s4)cc3)ccnc2c1.COc1ccc2c(Oc3cccc(-c4nnc(Nc5cccc(C)c5)s4)c3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)s3)cc2)n1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)nc(N)n4)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc5ccccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4cc(N)nc(-c5c(C)cc(C)cc5C)n4)c3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccnc5ccccc45)c3)s2)c1
InChIInChI=1S/C28H26N6OS.2C25H20N4O2S.2C24H18N4OS.C21H16N6OS.C20H18N6OS2.C19H17N7OS.CH4/c1-16-7-5-9-21(13-16)30-28-34-33-27(36-28)20-8-6-10-22(14-20)35-24-15-23(29)31-26(32-24)25-18(3)11-17(2)12-19(25)4;1-16-5-3-7-18(13-16)27-25-29-28-24(32-25)17-6-4-8-20(14-17)31-23-11-12-26-22-15-19(30-2)9-10-21(22)23;1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-16-6-4-8-18(14-16)26-24-28-27-23(30-24)17-7-5-9-19(15-17)29-22-12-13-25-21-11-3-2-10-20(21)22;1-16-5-4-6-18(15-16)26-24-28-27-23(30-24)17-9-11-19(12-10-17)29-22-13-14-25-21-8-3-2-7-20(21)22;1-13-3-2-4-15(11-13)25-21-27-26-20(29-21)14-5-7-16(8-6-14)28-19-17-9-10-22-18(17)23-12-24-19;1-12-4-3-5-14(10-12)22-20-26-25-18(29-20)13-6-8-15(9-7-13)27-17-11-16(21)23-19(24-17)28-2;1-11-3-2-4-13(9-11)22-19-26-25-17(28-19)12-5-7-14(8-6-12)27-16-10-15(20)23-18(21)24-16;/h5-15H,1-4H3,(H,30,34)(H2,29,31,32);2*3-15H,1-2H3,(H,27,29);2*2-15H,1H3,(H,26,28);2-12H,1H3,(H,25,27)(H,22,23,24);3-11H,1-2H3,(H,22,26)(H2,21,23,24);2-10H,1H3,(H,22,26)(H4,20,21,23,24);1H4
InChIKeyBKWMQLFFJBPUHJ-UHFFFAOYSA-N
XLogP48.53
TPSA669.33 Ų
H-Bond Donors13
H-Bond Acceptors59
Rotatable Bonds44
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003427.19
LogP ≤ 548.53
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1059

Analyze 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine (CID 157381001) is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine is C.COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)s4)cc3)ccnc2c1.COc1ccc2c(Oc3cccc(-c4nnc(Nc5cccc(C)c5)s4)c3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)s3)cc2)n1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)nc(N)n4)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc5ccccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4cc(N)nc(-c5c(C)cc(C)cc5C)n4)c3)s2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccnc5ccccc45)c3)s2)c1.
What is the InChIKey of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BKWMQLFFJBPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6OS.2C25H20N4O2S.2C24H18N4OS.C21H16N6OS.C20H18N6OS2.C19H17N7OS.CH4/c1-16-7-5-9-21(13-16)30-28-34-33-27(36-28)20-8-6-10-22(14-20)35-24-15-23(29)31-26(32-24)25-18(3)11-17(2)12-19(25)4;1-16-5-3-7-18(13-16)27-25-29-28-24(32-25)17-6-4-8-20(14-17)31-23-11-12-26-22-15-19(30-2)9-10-21(22)23;1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-16-6-4-8-18(14-16)26-24-28-27-23(30-24)17-7-5-9-19(15-17)29-22-12-13-25-21-11-3-2-10-20(21)22;1-16-5-4-6-18(15-16)26-24-28-27-23(30-24)17-9-11-19(12-10-17)29-22-13-14-25-21-8-3-2-7-20(21)22;1-13-3-2-4-15(11-13)25-21-27-26-20(29-21)14-5-7-16(8-6-14)28-19-17-9-10-22-18(17)23-12-24-19;1-12-4-3-5-14(10-12)22-20-26-25-18(29-20)13-6-8-15(9-7-13)27-17-11-16(21)23-19(24-17)28-2;1-11-3-2-4-13(9-11)22-19-26-25-17(28-19)12-5-7-14(8-6-12)27-16-10-15(20)23-18(21)24-16;/h5-15H,1-4H3,(H,30,34)(H2,29,31,32);2*3-15H,1-2H3,(H,27,29);2*2-15H,1H3,(H,26,28);2-12H,1H3,(H,25,27)(H,22,23,24);3-11H,1-2H3,(H,22,26)(H2,21,23,24);2-10H,1H3,(H,22,26)(H4,20,21,23,24);1H4.
What are the key properties of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 3427.19 g/mol, XLogP of 48.53, 44 rotatable bonds, 13 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[3-[6-amino-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;methane;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine;6-[4-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).