1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C114H91N33O3S3 — CID 157301762

IUPAC1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=Cc2ncccc2C1.C1=Cc2ncncc2C1.C1=Nc2ccccc2C1.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1ncc2occc2n1.c1ncc2sccc2n1
InChIInChI=1S/2C8H7N.4C7H6N2.2C7H5NO.2C7H5NS.5C6H5N3.C6H4N2O.C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-9-7(6)3-1;1-2-5-9-6-4-8-7(9)3-1;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;2*1-2-9-6-3-7-4-8-5(1)6/h1-2,4-6H,3H2;1-4,6H,5H2;1-5,9H;1-5H,(H,8,9);1,3-5H,2H2;1-6H;9*1-5H;2*1-4H
InChIKeyBBZGCGZKTXHUJA-UHFFFAOYSA-N
MW2067.41 g/mol
LogP23.91
Rot. Bonds

About 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157301762) has the molecular formula C114H91N33O3S3 and a molecular weight of 2067.41 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157301762
Molecular FormulaC114H91N33O3S3
Molecular Weight2067.41 g/mol
Exact Mass2065.71
IUPAC Name1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=Cc2ncccc2C1.C1=Cc2ncncc2C1.C1=Nc2ccccc2C1.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1ncc2occc2n1.c1ncc2sccc2n1
InChIInChI=1S/2C8H7N.4C7H6N2.2C7H5NO.2C7H5NS.5C6H5N3.C6H4N2O.C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-9-7(6)3-1;1-2-5-9-6-4-8-7(9)3-1;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;2*1-2-9-6-3-7-4-8-5(1)6/h1-2,4-6H,3H2;1-4,6H,5H2;1-5,9H;1-5H,(H,8,9);1,3-5H,2H2;1-6H;9*1-5H;2*1-4H
InChIKeyBBZGCGZKTXHUJA-UHFFFAOYSA-N
XLogP23.91
TPSA419.18 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.41
LogP ≤ 523.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

1-[4-[3-[3-[2-[4-[2-(1,3-benzothiazol-2-yl)phenyl]piperazin-1-yl]-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl]-1-phenyltetrazol-1-ium-5-yl]-1,4-diazepan-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 137023176
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
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
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159270987
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
CID 159678045
CID 159678045
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 157301762) is 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=Cc2ncccc2C1.C1=Cc2ncncc2C1.C1=Nc2ccccc2C1.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1ncc2occc2n1.c1ncc2sccc2n1.
What is the InChIKey of 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BBZGCGZKTXHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.4C7H6N2.2C7H5NO.2C7H5NS.5C6H5N3.C6H4N2O.C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-9-7(6)3-1;1-2-5-9-6-4-8-7(9)3-1;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;2*1-2-9-6-3-7-4-8-5(1)6/h1-2,4-6H,3H2;1-4,6H,5H2;1-5,9H;1-5H,(H,8,9);1,3-5H,2H2;1-6H;9*1-5H;2*1-4H.
What are the key properties of 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2067.41 g/mol, XLogP of 23.91, 0 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157301762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).