1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C242H215N87O16S14 — CID 161130696

IUPAC1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESO=S1(=O)C=Cc2ccccc21.O=S1C=CC=C1.O=S1C=Cc2ccccc21.[O-][n+]1ccccc1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/2C8H7N.C8H6O2S.C8H6OS.C8H6O.C8H6S.6C7H6N2.2C7H5NO.2C7H5NS.4C6H5N3.C6H4N2O.C6H4N2S.C5H4N4.C5H5NO.C5H5N.3C4H4N2.C4H5N.C4H4OS.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.4C2H2N2O.4C2H2N2S.CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-6-5-7-3-1-2-4-8(7)10;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;7-6-4-2-1-3-5-6;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;1-2-4-5-3-1;5-6-3-1-2-4-6;2*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;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*1-2-4-5-3-1/h2*1-6,9H;1-6H;1-6H;2*1-6H;3*1-5,9H;3*1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);3*1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9);1-5H;1-5H;3*1-4H;1-5H;1-4H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);8*1-2H;1H,(H,2,3,4,5)
InChIKeyUMDIHNKCVDFDRC-UHFFFAOYSA-N
MW5046.91 g/mol
LogP50.71
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 161130696) has the molecular formula C242H215N87O16S14 and a molecular weight of 5046.91 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
PubChem CID161130696
Molecular FormulaC242H215N87O16S14
Molecular Weight5046.91 g/mol
Exact Mass5042.48
IUPAC Name1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESO=S1(=O)C=Cc2ccccc21.O=S1C=CC=C1.O=S1C=Cc2ccccc21.[O-][n+]1ccccc1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/2C8H7N.C8H6O2S.C8H6OS.C8H6O.C8H6S.6C7H6N2.2C7H5NO.2C7H5NS.4C6H5N3.C6H4N2O.C6H4N2S.C5H4N4.C5H5NO.C5H5N.3C4H4N2.C4H5N.C4H4OS.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.4C2H2N2O.4C2H2N2S.CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-6-5-7-3-1-2-4-8(7)10;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;7-6-4-2-1-3-5-6;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;1-2-4-5-3-1;5-6-3-1-2-4-6;2*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;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*1-2-4-5-3-1/h2*1-6,9H;1-6H;1-6H;2*1-6H;3*1-5,9H;3*1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);3*1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9);1-5H;1-5H;3*1-4H;1-5H;1-4H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);8*1-2H;1H,(H,2,3,4,5)
InChIKeyUMDIHNKCVDFDRC-UHFFFAOYSA-N
XLogP50.71
TPSA1403.40 Ų
H-Bond Donors19
H-Bond Acceptors94
Rotatable Bonds
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005046.91
LogP ≤ 550.71
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1094

Analyze 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1,1-dioxide;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 157138688
bis(1H-benzimidazole);1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;1H-imidazo[4,5-b]pyridine;1H-indazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1,1-dioxide;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 161140363
1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;1H-imidazo[4,5-b]pyridine;1H-indazole;1H-indole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 159020217
bis(1H-benzimidazole);1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;4H-imidazole;1H-indole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[3,2-b]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1,1-dioxide;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 159414887
1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 159175360
benzene;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;7H-cyclopenta[b]pyridine;3,4-dihydro-2H-1,4-benzoxazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;furan;furo[2,3-b]pyridine;1H-imidazole;1H-indene;3H-indole;1H-isoindole;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 165033773
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;1H-imidazole;bis(1H-indole);1,2-oxazole;1,3-oxazole;phthalazine;pyrazine;1H-pyrazole;bis(pyridine);bis(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 158352591
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 167675884
4,6a-dihydro-3aH-thieno[2,3-b]pyrrole;benzene;1H-benzimidazole;1,2-benzothiazole;1,3-benzothiazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);tris(1H-imidazole);bis(1,5-naphthyridine);bis(1,6-naphthyridine);bis(1,7-naphthyridine);bis(1,8-naphthyridine);1,3,4-oxadiazole;tris(1,3-oxazole);pyrazine;pyridazine;pyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrimidine;bis(1H-pyrrole);3H-pyrrolo[3,2-b]pyridine;quinazoline;quinoline;quinoxaline;1,3,4-thiadiazole;tris(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-c]pyridine;6H-thieno[2,3-c]pyrrole;thiophene;1H-1,2,4-triazole
CID 158922864
2H-benzotriazole;furan;1H-imidazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1H-1,2,4-triazole;2H-triazole
CID 157350898
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 158213920
1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157448304

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 161130696) is 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is O=S1(=O)C=Cc2ccccc21.O=S1C=CC=C1.O=S1C=Cc2ccccc21.[O-][n+]1ccccc1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is UMDIHNKCVDFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C8H6O2S.C8H6OS.C8H6O.C8H6S.6C7H6N2.2C7H5NO.2C7H5NS.4C6H5N3.C6H4N2O.C6H4N2S.C5H4N4.C5H5NO.C5H5N.3C4H4N2.C4H5N.C4H4OS.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.4C2H2N2O.4C2H2N2S.CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-6-5-7-3-1-2-4-8(7)10;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;7-6-4-2-1-3-5-6;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;1-2-4-5-3-1;5-6-3-1-2-4-6;2*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;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*1-2-4-5-3-1/h2*1-6,9H;1-6H;1-6H;2*1-6H;3*1-5,9H;3*1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);3*1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9);1-5H;1-5H;3*1-4H;1-5H;1-4H;2*1-4H;2*1-3H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);8*1-2H;1H,(H,2,3,4,5).
What are the key properties of 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 5046.91 g/mol, XLogP of 50.71, 0 rotatable bonds, 19 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;7H-purine;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 161130696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).