N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine

C173H165N45O5S9 — CID 157330416

IUPACN,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESC.CCN(CC)C(=O)c1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)n1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CNC(=O)Cn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.COCCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccnn4C)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1
InChIInChI=1S/C23H23N5O2S.C22H21N5OS.C19H18N6OS.C19H19N5OS.C19H16N4S.2C18H17N5S.2C17H15N5S.CH4/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16;1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-5-14(8-21-7-12)13-3-4-16-17(6-13)27-19(24-16)23-15-9-22-25(10-15)11-18(26)20-2;1-13-7-15(10-20-9-13)14-3-4-17-18(8-14)26-19(23-17)22-16-11-21-24(12-16)5-6-25-2;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;2*1-3-23-11-15(10-20-23)21-18-22-16-5-4-13(7-17(16)24-18)14-6-12(2)8-19-9-14;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;1-11-7-13(10-18-9-11)12-3-4-14-15(8-12)23-17(20-14)21-16-5-6-19-22(16)2;/h6-14H,4-5H2,1-3H3,(H,25,26,27);2-5,10-14H,6-9H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,20,26)(H,23,24);3-4,7-12H,5-6H2,1-2H3,(H,22,23);3-11H,1-2H3,(H,22,23);2*4-11H,3H2,1-2H3,(H,21,22);2*3-10H,1-2H3,(H,20,21);1H4
InChIKeyBFFIXQCCFYHODU-UHFFFAOYSA-N
MW3243.14 g/mol
LogP40.53
Rot. Bonds39

About N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine

N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 157330416) has the molecular formula C173H165N45O5S9 and a molecular weight of 3243.14 g/mol. Its IUPAC name is N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID157330416
Molecular FormulaC173H165N45O5S9
Molecular Weight3243.14 g/mol
Exact Mass3240.15
IUPAC NameN,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESC.CCN(CC)C(=O)c1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)n1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CNC(=O)Cn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.COCCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccnn4C)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1
InChIInChI=1S/C23H23N5O2S.C22H21N5OS.C19H18N6OS.C19H19N5OS.C19H16N4S.2C18H17N5S.2C17H15N5S.CH4/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16;1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-5-14(8-21-7-12)13-3-4-16-17(6-13)27-19(24-16)23-15-9-22-25(10-15)11-18(26)20-2;1-13-7-15(10-20-9-13)14-3-4-17-18(8-14)26-19(23-17)22-16-11-21-24(12-16)5-6-25-2;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;2*1-3-23-11-15(10-20-23)21-18-22-16-5-4-13(7-17(16)24-18)14-6-12(2)8-19-9-14;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;1-11-7-13(10-18-9-11)12-3-4-14-15(8-12)23-17(20-14)21-16-5-6-19-22(16)2;/h6-14H,4-5H2,1-3H3,(H,25,26,27);2-5,10-14H,6-9H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,20,26)(H,23,24);3-4,7-12H,5-6H2,1-2H3,(H,22,23);3-11H,1-2H3,(H,22,23);2*4-11H,3H2,1-2H3,(H,21,22);2*3-10H,1-2H3,(H,20,21);1H4
InChIKeyBFFIXQCCFYHODU-UHFFFAOYSA-N
XLogP40.53
TPSA566.22 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds39
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003243.14
LogP ≤ 540.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Analyze N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157160459
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 157264548
1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 157509294
1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;heptakis(2-methylpropane);3-methyl-3H-pyrrole;1,3-oxazole;quinoline;1,3-thiazole
CID 157512681
4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methylpyridin-3-amine
CID 157530274
7-(1-benzofuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;6-(1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;7-(1,3-benzothiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carbonitrile;7-pyrazol-1-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-pyrazol-1-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 157548090
CID 157555385
CID 157555385
1,3-Benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;methane;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole
CID 157583421
6-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;5-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-2-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-2-amine
CID 157609955
3-[[4-(1,3-benzothiazol-2-yl)-2-[bis(1,3-benzothiazol-2-yl)amino]-6-(ethylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4-(1,3-benzoxazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-6-(ethylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[2,4-bis(1-methoxypropan-2-ylamino)-6-prop-2-enylpyrimidin-5-yl]diazenyl]-5-ethoxy-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-ethyl-1-(7H-purin-8-yl)pyrazole-4-carbonitrile;3-[[4-prop-2-enyl-2,6-bis(prop-2-enylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
CID 157669843
1,3-benzothiazole;1,3-benzoxazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylimidazole;pentakis(2-methylpropane);1,3-oxazole;quinoline;1,3-thiazole
CID 157733580

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 157330416) is N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine is C.CCN(CC)C(=O)c1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)n1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.CNC(=O)Cn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.COCCn1cc(Nc2nc3ccc(-c4cncc(C)c4)cc3s2)cn1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccnn4C)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1.
What is the InChIKey of N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is BFFIXQCCFYHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S.C22H21N5OS.C19H18N6OS.C19H19N5OS.C19H16N4S.2C18H17N5S.2C17H15N5S.CH4/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16;1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-5-14(8-21-7-12)13-3-4-16-17(6-13)27-19(24-16)23-15-9-22-25(10-15)11-18(26)20-2;1-13-7-15(10-20-9-13)14-3-4-17-18(8-14)26-19(23-17)22-16-11-21-24(12-16)5-6-25-2;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;2*1-3-23-11-15(10-20-23)21-18-22-16-5-4-13(7-17(16)24-18)14-6-12(2)8-19-9-14;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;1-11-7-13(10-18-9-11)12-3-4-14-15(8-12)23-17(20-14)21-16-5-6-19-22(16)2;/h6-14H,4-5H2,1-3H3,(H,25,26,27);2-5,10-14H,6-9H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,20,26)(H,23,24);3-4,7-12H,5-6H2,1-2H3,(H,22,23);3-11H,1-2H3,(H,22,23);2*4-11H,3H2,1-2H3,(H,21,22);2*3-10H,1-2H3,(H,20,21);1H4.
What are the key properties of N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 3243.14 g/mol, XLogP of 40.53, 39 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 157330416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).