5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole

C135H132N38O4S11 — CID 161033483

IUPAC5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole
SMILESC(=C1/CCCN1)\c1nc2ccccc2s1.C(=C1\NCCS1)\c1nc2ccccc2s1.C1=CSC(=Cc2ccccn2)N1.CC1(C)C(=Cc2ccccn2)Nc2ccccc21.CCN(CC)c1nnc(Nc2nc3ccccc3s2)s1.CCOC(=O)c1csc(Nc2nc3ccccc3s2)n1.CCn1c(Nc2nc3ncncc3n2CC)nc2ncncc21.OCCN1/C(=C/c2nc3ccccc3n2CCO)Nc2ccccc21.c1ccc(NC2=NCCS2)nc1.c1ccc(Nc2nc3ccccc3s2)nc1.c1ccc(Nc2nccs2)nc1
InChIInChI=1S/C19H20N4O2.C16H16N2.C14H15N9.C13H15N5S2.C13H11N3O2S2.C12H9N3S.C12H12N2S.C11H10N2S2.C9H8N2S.C8H9N3S.C8H7N3S/c24-11-9-22-16-7-3-1-5-14(16)20-18(22)13-19-21-15-6-2-4-8-17(15)23(19)10-12-25;1-16(2)13-8-3-4-9-14(13)18-15(16)11-12-7-5-6-10-17-12;1-3-22-9-5-15-7-17-11(9)19-13(22)21-14-20-12-10(23(14)4-2)6-16-8-18-12;1-3-18(4-2)13-17-16-12(20-13)15-11-14-9-7-5-6-8-10(9)19-11;1-2-18-11(17)9-7-19-12(15-9)16-13-14-8-5-3-4-6-10(8)20-13;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9;1-2-4-9-8(3-1)13-11(15-9)7-10-12-5-6-14-10;1-2-4-10-8(3-1)7-9-11-5-6-12-9;2*1-2-4-9-7(3-1)11-8-10-5-6-12-8/h1-8,13,20,24-25H,9-12H2;3-11,18H,1-2H3;5-8H,3-4H2,1-2H3,(H,15,16,17,18,19,20,21);5-8H,3-4H2,1-2H3,(H,14,15,16);3-7H,2H2,1H3,(H,14,15,16);1-8H,(H,13,14,15);1-2,5-6,8,13H,3-4,7H2;1-4,7,12H,5-6H2;1-7,11H;1-4H,5-6H2,(H,9,10,11);1-6H,(H,9,10,11)/b18-13+;;;;;;9-8-;10-7+;;;
InChIKeyBMMVKPFALYPQCW-JOYBEARASA-N
MW2703.54 g/mol
LogP30.69
Rot. Bonds27

About 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole

5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole (PubChem CID 161033483) has the molecular formula C135H132N38O4S11 and a molecular weight of 2703.54 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole
PubChem CID161033483
Molecular FormulaC135H132N38O4S11
Molecular Weight2703.54 g/mol
Exact Mass2700.82
IUPAC Name5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole
SMILESC(=C1/CCCN1)\c1nc2ccccc2s1.C(=C1\NCCS1)\c1nc2ccccc2s1.C1=CSC(=Cc2ccccn2)N1.CC1(C)C(=Cc2ccccn2)Nc2ccccc21.CCN(CC)c1nnc(Nc2nc3ccccc3s2)s1.CCOC(=O)c1csc(Nc2nc3ccccc3s2)n1.CCn1c(Nc2nc3ncncc3n2CC)nc2ncncc21.OCCN1/C(=C/c2nc3ccccc3n2CCO)Nc2ccccc21.c1ccc(NC2=NCCS2)nc1.c1ccc(Nc2nc3ccccc3s2)nc1.c1ccc(Nc2nccs2)nc1
InChIInChI=1S/C19H20N4O2.C16H16N2.C14H15N9.C13H15N5S2.C13H11N3O2S2.C12H9N3S.C12H12N2S.C11H10N2S2.C9H8N2S.C8H9N3S.C8H7N3S/c24-11-9-22-16-7-3-1-5-14(16)20-18(22)13-19-21-15-6-2-4-8-17(15)23(19)10-12-25;1-16(2)13-8-3-4-9-14(13)18-15(16)11-12-7-5-6-10-17-12;1-3-22-9-5-15-7-17-11(9)19-13(22)21-14-20-12-10(23(14)4-2)6-16-8-18-12;1-3-18(4-2)13-17-16-12(20-13)15-11-14-9-7-5-6-8-10(9)19-11;1-2-18-11(17)9-7-19-12(15-9)16-13-14-8-5-3-4-6-10(8)20-13;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9;1-2-4-9-8(3-1)13-11(15-9)7-10-12-5-6-14-10;1-2-4-10-8(3-1)7-9-11-5-6-12-9;2*1-2-4-9-7(3-1)11-8-10-5-6-12-8/h1-8,13,20,24-25H,9-12H2;3-11,18H,1-2H3;5-8H,3-4H2,1-2H3,(H,15,16,17,18,19,20,21);5-8H,3-4H2,1-2H3,(H,14,15,16);3-7H,2H2,1H3,(H,14,15,16);1-8H,(H,13,14,15);1-2,5-6,8,13H,3-4,7H2;1-4,7,12H,5-6H2;1-7,11H;1-4H,5-6H2,(H,9,10,11);1-6H,(H,9,10,11)/b18-13+;;;;;;9-8-;10-7+;;;
InChIKeyBMMVKPFALYPQCW-JOYBEARASA-N
XLogP30.69
TPSA503.41 Ų
H-Bond Donors13
H-Bond Acceptors53
Rotatable Bonds27
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.54
LogP ≤ 530.69
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1053

Analyze 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 158591199
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate
CID 159123802
tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)
CID 161044395
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine;(8Z)-7,9-dimethyl-8-[(7-methylpurin-8-yl)methylidene]purine;ethyl 2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-thiazole-4-carboxylate;methane;(2E)-3-methyl-2-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-benzothiazole;(2E)-3-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-(4-nitrophenyl)-1,3-thiazole;(2E)-2-(1-methyl-2-pyridinylidene)-2-pyridin-2-ylacetonitrile;(2Z)-3-methyl-2-(pyridin-2-ylmethylidene)-1H-benzimidazole
CID 161487207

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole?
The IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole (CID 161033483) is 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole.
What is the SMILES notation for 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole?
The canonical SMILES for 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole is C(=C1/CCCN1)\c1nc2ccccc2s1.C(=C1\NCCS1)\c1nc2ccccc2s1.C1=CSC(=Cc2ccccn2)N1.CC1(C)C(=Cc2ccccn2)Nc2ccccc21.CCN(CC)c1nnc(Nc2nc3ccccc3s2)s1.CCOC(=O)c1csc(Nc2nc3ccccc3s2)n1.CCn1c(Nc2nc3ncncc3n2CC)nc2ncncc21.OCCN1/C(=C/c2nc3ccccc3n2CCO)Nc2ccccc21.c1ccc(NC2=NCCS2)nc1.c1ccc(Nc2nc3ccccc3s2)nc1.c1ccc(Nc2nccs2)nc1.
What is the InChIKey of 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole?
The InChIKey is BMMVKPFALYPQCW-JOYBEARASA-N. The full InChI is InChI=1S/C19H20N4O2.C16H16N2.C14H15N9.C13H15N5S2.C13H11N3O2S2.C12H9N3S.C12H12N2S.C11H10N2S2.C9H8N2S.C8H9N3S.C8H7N3S/c24-11-9-22-16-7-3-1-5-14(16)20-18(22)13-19-21-15-6-2-4-8-17(15)23(19)10-12-25;1-16(2)13-8-3-4-9-14(13)18-15(16)11-12-7-5-6-10-17-12;1-3-22-9-5-15-7-17-11(9)19-13(22)21-14-20-12-10(23(14)4-2)6-16-8-18-12;1-3-18(4-2)13-17-16-12(20-13)15-11-14-9-7-5-6-8-10(9)19-11;1-2-18-11(17)9-7-19-12(15-9)16-13-14-8-5-3-4-6-10(8)20-13;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9;1-2-4-9-8(3-1)13-11(15-9)7-10-12-5-6-14-10;1-2-4-10-8(3-1)7-9-11-5-6-12-9;2*1-2-4-9-7(3-1)11-8-10-5-6-12-8/h1-8,13,20,24-25H,9-12H2;3-11,18H,1-2H3;5-8H,3-4H2,1-2H3,(H,15,16,17,18,19,20,21);5-8H,3-4H2,1-2H3,(H,14,15,16);3-7H,2H2,1H3,(H,14,15,16);1-8H,(H,13,14,15);1-2,5-6,8,13H,3-4,7H2;1-4,7,12H,5-6H2;1-7,11H;1-4H,5-6H2,(H,9,10,11);1-6H,(H,9,10,11)/b18-13+;;;;;;9-8-;10-7+;;;.
What are the key properties of 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole?
5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole has a molecular weight of 2703.54 g/mol, XLogP of 30.69, 27 rotatable bonds, 13 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole is sourced from PubChem (CID 161033483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).