About 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
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 (PubChem CID 158922864) has the molecular formula C286H243N83O7S16
and a molecular weight of 5467.74 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2CC=NC2S1.C1=NCc2sccc21.C1=Nc2cccnc2C1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccnc2cn1.c1cc2ncsc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2ccsc2c1.c1cnc2cnccc2c1.c1cnc2cnccc2c1.c1cnc2nc[nH]c2c1.c1cnc2ncccc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2c1.c1cnc2ncsc2c1.c1cnc2scnc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 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?
The InChIKey is JIBFENVGNJRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.10C8H6N2.2C7H5N3.2C7H6N2.C7H5NO.4C7H5NS.3C6H5N3.4C6H4N2S.C6H7NS.C6H5NS.C6H6.C5H5N.3C4H4N2.2C4H5N.2C4H4O.2C4H4S.3C3H4N2.3C3H3NO.3C3H3NS.C2H3N3.C2H2N2O.C2H2N2S/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-3-7-8(9-5-1)4-2-6-10-7;2*1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-8-5-7-6(1)9-3-4-10-7;1-2-6-7(9-3-1)10-5-4-8-6;1-2-6-7(8-4-1)3-5-9-6;2*1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-3-7-6-5(1)2-4-8-6;1-2-8-6-4-7-3-5(1)6;2*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;6*1-2-4-5-3-1;9*1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1/h1-7H;10*1-6H;2*1-5H;1-2,4-5H,3H2;1-5H,(H,8,9);5*1-5H;2*1-4H,(H,8,9);1-4H,(H,7,8,9);4*1-4H;2-6H,1H2;1-3H,4H2;1-6H;1-5H;3*1-4H;2*1-5H;4*1-4H;3*1-3H,(H,4,5);6*1-3H;1-2H,(H,3,4,5);2*1-2H.
What are the key properties of 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?
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 has a molecular weight of 5467.74 g/mol, XLogP of 66.86, 0 rotatable bonds, 10 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158922864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).