1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole

C208H230N70O14S9 — CID 157062903

IUPAC1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole
SMILESC1=CC2=NSNC2C=C1.C1CC2CCC(C1)N2.C1CC2CCCN(C1)C2.C1CCN2CCCC2C1.c1c2c(cc3c1OCO3)CNCC2.c1c2c(cc3c1OCO3)CNCC2.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.c1nncs1
InChIInChI=1S/C12H9NO.2C10H11NO2.C9H11N.2C9H10O.2C8H15N.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H13N.C6H5N3.C6H6N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H2N4.3C2H3N3.3C2H2N2O.4C2H2N2S.CH2N4/c1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;2*1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-8-4-2-6-9(5-1)7-8;1-2-6-9-7-3-5-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-4-5-7(3-1)8-6;2*1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-7H,8H2;2*3-4,11H,1-2,5-6H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*8H,1-7H2;1-6,9H;3*1-6H;1-5H,(H,8,9);6-8H,1-5H2;1-4H,(H,7,8,9);1-5,7H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H;3*1-2H,(H,3,4,5);7*1-2H;1H,(H,2,3,4,5)
InChIKeyABNLLFGZJCHZRI-UHFFFAOYSA-N
MW4223.21 g/mol
LogP37.86
Rot. Bonds

About 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole

1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 157062903) has the molecular formula C208H230N70O14S9 and a molecular weight of 4223.21 g/mol. Its IUPAC name is 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole.

Molecular Properties

Compound Name1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole
PubChem CID157062903
Molecular FormulaC208H230N70O14S9
Molecular Weight4223.21 g/mol
Exact Mass4219.69
IUPAC Name1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole
SMILESC1=CC2=NSNC2C=C1.C1CC2CCC(C1)N2.C1CC2CCCN(C1)C2.C1CCN2CCCC2C1.c1c2c(cc3c1OCO3)CNCC2.c1c2c(cc3c1OCO3)CNCC2.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.c1nncs1
InChIInChI=1S/C12H9NO.2C10H11NO2.C9H11N.2C9H10O.2C8H15N.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H13N.C6H5N3.C6H6N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H2N4.3C2H3N3.3C2H2N2O.4C2H2N2S.CH2N4/c1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;2*1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-8-4-2-6-9(5-1)7-8;1-2-6-9-7-3-5-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-4-5-7(3-1)8-6;2*1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-7H,8H2;2*3-4,11H,1-2,5-6H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*8H,1-7H2;1-6,9H;3*1-6H;1-5H,(H,8,9);6-8H,1-5H2;1-4H,(H,7,8,9);1-5,7H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H;3*1-2H,(H,3,4,5);7*1-2H;1H,(H,2,3,4,5)
InChIKeyABNLLFGZJCHZRI-UHFFFAOYSA-N
XLogP37.86
TPSA1055.28 Ų
H-Bond Donors15
H-Bond Acceptors83
Rotatable Bonds
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004223.21
LogP ≤ 537.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1083

Analyze 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;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;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;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;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;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;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
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
CID 158395365
CID 158395365
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 160394850
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-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;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-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;1,3,5-triazine
CID 160409071
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-1H-pyrrolo[3,2-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 160500598

Frequently Asked Questions

What is the IUPAC name of 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole?
The IUPAC name of 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole (CID 157062903) is 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole.
What is the SMILES notation for 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole?
The canonical SMILES for 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole is C1=CC2=NSNC2C=C1.C1CC2CCC(C1)N2.C1CC2CCCN(C1)C2.C1CCN2CCCC2C1.c1c2c(cc3c1OCO3)CNCC2.c1c2c(cc3c1OCO3)CNCC2.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.c1nncs1.
What is the InChIKey of 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole?
The InChIKey is ABNLLFGZJCHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.2C10H11NO2.C9H11N.2C9H10O.2C8H15N.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H13N.C6H5N3.C6H6N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H2N4.3C2H3N3.3C2H2N2O.4C2H2N2S.CH2N4/c1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;2*1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-8-4-2-6-9(5-1)7-8;1-2-6-9-7-3-5-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-4-5-7(3-1)8-6;2*1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-7H,8H2;2*3-4,11H,1-2,5-6H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*8H,1-7H2;1-6,9H;3*1-6H;1-5H,(H,8,9);6-8H,1-5H2;1-4H,(H,7,8,9);1-5,7H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H;3*1-2H,(H,3,4,5);7*1-2H;1H,(H,2,3,4,5).
What are the key properties of 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole?
1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 4223.21 g/mol, XLogP of 37.86, 0 rotatable bonds, 15 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 157062903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).