8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C281H292N62O16S12 — CID 159033858

IUPAC8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CC2SC=NN2C=C1.C1=CCN=C1.C1=CCN=C1.C1CC1.C1CCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCN1.O=C1NCCO1.c1c[nH]cn1.c1cc2ncoc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]n1.c1cnc2nc[nH]c2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1ncsn1.c1nnco1
InChIInChI=1S/C10H8.2C9H7N.2C8H6N2.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.3C7H5NS.C6H5N3.3C6H4N2O.2C6H4N2S.C6H6N2S.C6H10O.C6H12.C6H6.2C5H5N.C5H8O.C5H10.2C4H4N2.C4H7NO.C4H9N.3C4H5N.C4H8O.C4H4O.2C4H4S.2C4H8.C3H3N3.C3H4N2.C3H5NO2.2C3H3NO.2C3H3NS.C3H6.2C2H3N3.C2H2N2O.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;7*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)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;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-8-6(3-1)9-5-7-8;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-4-2-1-3-5-4;8*1-2-4-5-3-1;2*1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;5-3-4-1-2-6-3;4*1-2-5-3-4-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;2*1-6H;1-6,9H;2*1-6H;2*1-5H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);5*1-4H;1-6H;1-5H2;1-6H2;1-6H;2*1-5H;1-4H2;1-5H2;2*1-4H;1-3H2,(H,5,6);5H,1-4H2;2*1-3H,4H2;1-5H;1-4H2;3*1-4H;2*1-4H2;1-3H;1-3H,(H,4,5);1-2H2,(H,4,5);4*1-3H;1-3H2;2*1-2H,(H,3,4,5);2*1-2H
InChIKeyJVFFEKGICLKYBE-UHFFFAOYSA-N
MW5178.65 g/mol
LogP69.14
Rot. Bonds

About 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 159033858) has the molecular formula C281H292N62O16S12 and a molecular weight of 5178.65 g/mol. Its IUPAC name is 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
PubChem CID159033858
Molecular FormulaC281H292N62O16S12
Molecular Weight5178.65 g/mol
Exact Mass5174.06
IUPAC Name8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CC2SC=NN2C=C1.C1=CCN=C1.C1=CCN=C1.C1CC1.C1CCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCN1.O=C1NCCO1.c1c[nH]cn1.c1cc2ncoc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]n1.c1cnc2nc[nH]c2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1ncsn1.c1nnco1
InChIInChI=1S/C10H8.2C9H7N.2C8H6N2.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.3C7H5NS.C6H5N3.3C6H4N2O.2C6H4N2S.C6H6N2S.C6H10O.C6H12.C6H6.2C5H5N.C5H8O.C5H10.2C4H4N2.C4H7NO.C4H9N.3C4H5N.C4H8O.C4H4O.2C4H4S.2C4H8.C3H3N3.C3H4N2.C3H5NO2.2C3H3NO.2C3H3NS.C3H6.2C2H3N3.C2H2N2O.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;7*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)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;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-8-6(3-1)9-5-7-8;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-4-2-1-3-5-4;8*1-2-4-5-3-1;2*1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;5-3-4-1-2-6-3;4*1-2-5-3-4-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;2*1-6H;1-6,9H;2*1-6H;2*1-5H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);5*1-4H;1-6H;1-5H2;1-6H2;1-6H;2*1-5H;1-4H2;1-5H2;2*1-4H;1-3H2,(H,5,6);5H,1-4H2;2*1-3H,4H2;1-5H;1-4H2;3*1-4H;2*1-4H2;1-3H;1-3H,(H,4,5);1-2H2,(H,4,5);4*1-3H;1-3H2;2*1-2H,(H,3,4,5);2*1-2H
InChIKeyJVFFEKGICLKYBE-UHFFFAOYSA-N
XLogP69.14
TPSA1026.70 Ų
H-Bond Donors11
H-Bond Acceptors80
Rotatable Bonds
Heavy Atoms371
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005178.65
LogP ≤ 569.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1080

Analyze 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 159033858) is 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is C1=CC2SC=NN2C=C1.C1=CCN=C1.C1=CCN=C1.C1CC1.C1CCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCN1.O=C1NCCO1.c1c[nH]cn1.c1cc2ncoc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]n1.c1cnc2nc[nH]c2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1ncsn1.c1nnco1.
What is the InChIKey of 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is JVFFEKGICLKYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.2C8H6N2.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.3C7H5NS.C6H5N3.3C6H4N2O.2C6H4N2S.C6H6N2S.C6H10O.C6H12.C6H6.2C5H5N.C5H8O.C5H10.2C4H4N2.C4H7NO.C4H9N.3C4H5N.C4H8O.C4H4O.2C4H4S.2C4H8.C3H3N3.C3H4N2.C3H5NO2.2C3H3NO.2C3H3NS.C3H6.2C2H3N3.C2H2N2O.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;7*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)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;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-8-6(3-1)9-5-7-8;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-4-2-1-3-5-4;8*1-2-4-5-3-1;2*1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;5-3-4-1-2-6-3;4*1-2-5-3-4-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;2*1-6H;1-6,9H;2*1-6H;2*1-5H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);5*1-4H;1-6H;1-5H2;1-6H2;1-6H;2*1-5H;1-4H2;1-5H2;2*1-4H;1-3H2,(H,5,6);5H,1-4H2;2*1-3H,4H2;1-5H;1-4H2;3*1-4H;2*1-4H2;1-3H;1-3H,(H,4,5);1-2H2,(H,4,5);4*1-3H;1-3H2;2*1-2H,(H,3,4,5);2*1-2H.
What are the key properties of 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 5178.65 g/mol, XLogP of 69.14, 0 rotatable bonds, 11 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-[1,3,4]thiadiazolo[3,2-a]pyridine;benzene;bis(1H-benzimidazole);1-benzofuran;tris(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);cyclobutane;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;cyclopropane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indole;isoquinoline;naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);1,3-oxazolidin-2-one;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;oxolane;pyridazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(2H-pyrrole);pyrrolidine;pyrrolidin-2-one;quinazoline;quinoline;quinoxaline;1,2,4-thiadiazole;bis(1,3-thiazole);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 159033858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).