1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine

C149H138N36O17S9 — CID 157426407

IUPAC1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c[nH]cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nc[nH]c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncsc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1
InChIInChI=1S/C22H20N4O2S.2C19H18N4O2S.2C18H17N5O2S.C18H16N4O3S.C18H16N4O2S2.C17H16N6O2S/c1-29(2,27)26-20-5-3-4-19(14-20)25-22-24-15-21(28-22)18-8-6-16(7-9-18)17-10-12-23-13-11-17;1-26(2,24)23-17-5-3-4-16(9-17)22-19-21-12-18(25-19)13-6-7-14-10-20-11-15(14)8-13;1-26(2,24)23-16-5-3-4-15(11-16)22-19-21-12-18(25-19)14-6-7-17-13(10-14)8-9-20-17;1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16;1-26(2,24)23-14-5-3-4-13(9-14)22-18-19-10-17(25-18)12-6-7-15-16(8-12)21-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-17(25-18)12-6-7-15-16(8-12)24-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-16(24-18)12-6-7-15-17(8-12)25-11-20-15;1-26(2,24)22-13-5-3-4-12(8-13)21-17-20-10-15(25-17)14-9-19-16-11-18-6-7-23(14)16/h3-15H,1H2,2H3,(H,24,25)(H,26,27);2*3-12,20H,1H2,2H3,(H,21,22)(H,23,24);3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24);3-11H,1H2,2H3,(H,19,22)(H,20,21)(H,23,24);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24)
InChIKeyBPZWXLRRQAPCPQ-UHFFFAOYSA-N
MW2993.58 g/mol
LogP31.64
Rot. Bonds41

About 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine

1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine (PubChem CID 157426407) has the molecular formula C149H138N36O17S9 and a molecular weight of 2993.58 g/mol. Its IUPAC name is 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
PubChem CID157426407
Molecular FormulaC149H138N36O17S9
Molecular Weight2993.58 g/mol
Exact Mass2990.85
IUPAC Name1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c[nH]cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nc[nH]c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncsc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1
InChIInChI=1S/C22H20N4O2S.2C19H18N4O2S.2C18H17N5O2S.C18H16N4O3S.C18H16N4O2S2.C17H16N6O2S/c1-29(2,27)26-20-5-3-4-19(14-20)25-22-24-15-21(28-22)18-8-6-16(7-9-18)17-10-12-23-13-11-17;1-26(2,24)23-17-5-3-4-16(9-17)22-19-21-12-18(25-19)13-6-7-14-10-20-11-15(14)8-13;1-26(2,24)23-16-5-3-4-15(11-16)22-19-21-12-18(25-19)14-6-7-17-13(10-14)8-9-20-17;1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16;1-26(2,24)23-14-5-3-4-13(9-14)22-18-19-10-17(25-18)12-6-7-15-16(8-12)21-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-17(25-18)12-6-7-15-16(8-12)24-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-16(24-18)12-6-7-15-17(8-12)25-11-20-15;1-26(2,24)22-13-5-3-4-12(8-13)21-17-20-10-15(25-17)14-9-19-16-11-18-6-7-23(14)16/h3-15H,1H2,2H3,(H,24,25)(H,26,27);2*3-12,20H,1H2,2H3,(H,21,22)(H,23,24);3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24);3-11H,1H2,2H3,(H,19,22)(H,20,21)(H,23,24);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24)
InChIKeyBPZWXLRRQAPCPQ-UHFFFAOYSA-N
XLogP31.64
TPSA708.22 Ų
H-Bond Donors20
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002993.58
LogP ≤ 531.64
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 158095790
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;2-methylthieno[2,3-b]pyridine
CID 158749319
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)-6-(2H-isoindol-1-yl)phenyl]-1,3-benzoxazole
CID 141209815
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
CID 141290183
10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
CID 157068316
6-Tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 157072823
10-(2,6-Diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
CID 157090724
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine (CID 157426407) is 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine is C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c[nH]cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nc[nH]c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncsc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1.
What is the InChIKey of 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The InChIKey is BPZWXLRRQAPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S.2C19H18N4O2S.2C18H17N5O2S.C18H16N4O3S.C18H16N4O2S2.C17H16N6O2S/c1-29(2,27)26-20-5-3-4-19(14-20)25-22-24-15-21(28-22)18-8-6-16(7-9-18)17-10-12-23-13-11-17;1-26(2,24)23-17-5-3-4-16(9-17)22-19-21-12-18(25-19)13-6-7-14-10-20-11-15(14)8-13;1-26(2,24)23-16-5-3-4-15(11-16)22-19-21-12-18(25-19)14-6-7-17-13(10-14)8-9-20-17;1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16;1-26(2,24)23-14-5-3-4-13(9-14)22-18-19-10-17(25-18)12-6-7-15-16(8-12)21-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-17(25-18)12-6-7-15-16(8-12)24-11-20-15;1-26(2,23)22-14-5-3-4-13(9-14)21-18-19-10-16(24-18)12-6-7-15-17(8-12)25-11-20-15;1-26(2,24)22-13-5-3-4-12(8-13)21-17-20-10-15(25-17)14-9-19-16-11-18-6-7-23(14)16/h3-15H,1H2,2H3,(H,24,25)(H,26,27);2*3-12,20H,1H2,2H3,(H,21,22)(H,23,24);3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24);3-11H,1H2,2H3,(H,19,22)(H,20,21)(H,23,24);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24).
What are the key properties of 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine has a molecular weight of 2993.58 g/mol, XLogP of 31.64, 41 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 157426407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).