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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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

C133H120N32O16S8 — CID 158112984

IUPAC1-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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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(/N=C2\N=CC(=c3ccc4c(c3)C=CN(O)C=4)O2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccncc4cn3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)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(-c3cnc4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1
InChIInChI=1S/C22H20N4O2S.C20H18N4O3S.2C19H17N5O2S.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;1-28(2,26)23-18-5-3-4-17(11-18)22-20-21-12-19(27-20)15-6-7-16-13-24(25)9-8-14(16)10-15;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)17-8-13-6-7-20-10-14(13)11-21-17;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)14-8-13-6-7-20-11-17(13)21-10-14;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);3-13,25H,1H2,2H3,(H,23,26);2*3-12H,1H2,2H3,(H,22,23)(H,24,25);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24)/b;19-15?,22-20+;;;;;
InChIKeyJNAXBWBNYFTXJH-DSEXEYCRSA-N
MW2679.17 g/mol
LogP24.96
Rot. Bonds34

About 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 158112984) has the molecular formula C133H120N32O16S8 and a molecular weight of 2679.17 g/mol. Its IUPAC name is 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 CID158112984
Molecular FormulaC133H120N32O16S8
Molecular Weight2679.17 g/mol
Exact Mass2676.73
IUPAC Name1-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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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(/N=C2\N=CC(=c3ccc4c(c3)C=CN(O)C=4)O2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccncc4cn3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)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(-c3cnc4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1
InChIInChI=1S/C22H20N4O2S.C20H18N4O3S.2C19H17N5O2S.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;1-28(2,26)23-18-5-3-4-17(11-18)22-20-21-12-19(27-20)15-6-7-16-13-24(25)9-8-14(16)10-15;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)17-8-13-6-7-20-10-14(13)11-21-17;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)14-8-13-6-7-20-11-17(13)21-10-14;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);3-13,25H,1H2,2H3,(H,23,26);2*3-12H,1H2,2H3,(H,22,23)(H,24,25);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24)/b;19-15?,22-20+;;;;;
InChIKeyJNAXBWBNYFTXJH-DSEXEYCRSA-N
XLogP24.96
TPSA623.04 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002679.17
LogP ≤ 524.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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

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Launch Full Analysis

Related Compounds

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
CID 157344486
CID 157344486
1-N-[5-(3H-benzimidazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzothiazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-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-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;1-N-[5-(2H-isoindol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 157426407
12-Benzo[h]quinolin-8-yl-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-isoquinolin-5-yl-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,10-phenanthrolin-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157428160
5-(6,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157589180
CID 157753126
CID 157753126
5-Naphthalen-2-yl-11-(8-phenylisoquinolin-5-yl)indolo[3,2-b]carbazole;11-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole;11-(5-phenylquinolin-2-yl)-5-quinolin-2-ylindolo[3,2-b]carbazole
CID 157938047
2-[4-[6,9-Bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine
CID 158001129
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine
CID 158063447
CID 158379447
CID 158379447
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate
CID 158404330
1-N-(5-imidazo[1,2-a]pyrazin-3-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-1-N-[5-(4-pyridin-4-ylphenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 158434933

Frequently Asked Questions

What is the IUPAC name of 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 158112984) is 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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(/N=C2\N=CC(=c3ccc4c(c3)C=CN(O)C=4)O2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccncc4cn3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4ccncc4)cc3)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(-c3cnc4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cnc4cnccn34)o2)c1.
What is the InChIKey of 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 JNAXBWBNYFTXJH-DSEXEYCRSA-N. The full InChI is InChI=1S/C22H20N4O2S.C20H18N4O3S.2C19H17N5O2S.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;1-28(2,26)23-18-5-3-4-17(11-18)22-20-21-12-19(27-20)15-6-7-16-13-24(25)9-8-14(16)10-15;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)17-8-13-6-7-20-10-14(13)11-21-17;1-27(2,25)24-16-5-3-4-15(9-16)23-19-22-12-18(26-19)14-8-13-6-7-20-11-17(13)21-10-14;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);3-13,25H,1H2,2H3,(H,23,26);2*3-12H,1H2,2H3,(H,22,23)(H,24,25);2*3-11H,1H2,2H3,(H,19,21)(H,22,23);3-11H,1H2,2H3,(H,20,21)(H,22,24)/b;19-15?,22-20+;;;;;.
What are the key properties of 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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-(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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 2679.17 g/mol, XLogP of 24.96, 34 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[[5-(2-hydroxyisoquinolin-6-ylidene)-1,3-oxazol-2-ylidene]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;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;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(1,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-(2,7-naphthyridin-3-yl)-1,3-oxazol-2-yl]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 158112984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).