bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole

C194H309N21O6S14 — CID 158229129

About bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole

bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole (PubChem CID 158229129) has the molecular formula C194H309N21O6S14 and a molecular weight of 3480.68 g/mol. Its IUPAC name is bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole.

Molecular Properties

• Compound Name: bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole
• PubChem CID: 158229129
• Molecular Formula: C194H309N21O6S14
• Molecular Weight: 3480.68 g/mol
• Exact Mass: 3477.06
• IUPAC Name: bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC#Cc1ccc(C)c2nc(C)oc12.Cc1ccc(C)c2c1OC(C)O2.Cc1ccc(C)c2c1OCCO2.Cc1ccc(C)c2ncccc12.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccsc1C.Cc1cnc(-c2cnc(C)[nH]2)[nH]1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1cscc1C.Cc1nnc(C)s1.Cc1nnn(C)c1C.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C
• InChI: InChI=1S/C12H11NO.C11H11N.2C10H12O2.2C10H12S2.2C9H9NS.C8H10N4.2C6H8N2.4C6H8S.C5H9N3.C5H7NO.3C5H7NS.C4H6N2S.20C2H6/c1-4-5-10-7-6-8(2)11-12(10)14-9(3)13-11;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-6-4-5-7(2)10-9(6)11-8(3)12-10;1-7-3-4-8(2)10-9(7)11-5-6-12-10;2*1-5-7(3)11-10-6(2)8(4)12-9(5)10;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-3-10-8(11-5)7-4-9-6(2)12-7;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-4-5(2)8(3)7-6-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;20*1-2/h6-7H,1-3H3;3-7H,1-2H3;4-5,8H,1-3H3;3-4H,5-6H2,1-2H3;2*1-4H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,9,12)(H,10,11);2*3-4H,1-2H3;4*3-4H,1-2H3;1-3H3;4*3H,1-2H3;1-2H3;20*1-2H3
• InChIKey: GEDWQWGKXFJGDP-UHFFFAOYSA-N
• XLogP: 66.13
• TPSA: 331.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 1
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3480.68
LogP ≤ 5	66.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole?

The IUPAC name of bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole (CID 158229129) is bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole.

What is the SMILES notation for bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole?

The canonical SMILES for bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC#Cc1ccc(C)c2nc(C)oc12.Cc1ccc(C)c2c1OC(C)O2.Cc1ccc(C)c2c1OCCO2.Cc1ccc(C)c2ncccc12.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccsc1C.Cc1cnc(-c2cnc(C)[nH]2)[nH]1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1cscc1C.Cc1nnc(C)s1.Cc1nnn(C)c1C.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C.

What is the InChIKey of bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole?

The InChIKey is GEDWQWGKXFJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C11H11N.2C10H12O2.2C10H12S2.2C9H9NS.C8H10N4.2C6H8N2.4C6H8S.C5H9N3.C5H7NO.3C5H7NS.C4H6N2S.20C2H6/c1-4-5-10-7-6-8(2)11-12(10)14-9(3)13-11;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-6-4-5-7(2)10-9(6)11-8(3)12-10;1-7-3-4-8(2)10-9(7)11-5-6-12-10;2*1-5-7(3)11-10-6(2)8(4)12-9(5)10;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-3-10-8(11-5)7-4-9-6(2)12-7;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-4-5(2)8(3)7-6-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;20*1-2/h6-7H,1-3H3;3-7H,1-2H3;4-5,8H,1-3H3;3-4H,5-6H2,1-2H3;2*1-4H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,9,12)(H,10,11);2*3-4H,1-2H3;4*3-4H,1-2H3;1-3H3;4*3H,1-2H3;1-2H3;20*1-2H3.

What are the key properties of bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole?

bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole has a molecular weight of 3480.68 g/mol, XLogP of 66.13, 1 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethyl-1,3-benzothiazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-7-prop-1-ynyl-1,3-benzoxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;5,8-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);2,3-dimethylthiophene;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;ethane;2-methyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole;bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene);2,4,7-trimethyl-1,3-benzodioxole;1,4,5-trimethyltriazole is sourced from PubChem (CID 158229129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).