benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

C107H173N5OS7Se — CID 159042574

About benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159042574) has the molecular formula C107H173N5OS7Se and a molecular weight of 1849.02 g/mol. Its IUPAC name is benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159042574
• Molecular Formula: C107H173N5OS7Se
• Molecular Weight: 1849.02 g/mol
• Exact Mass: 1848.09
• IUPAC Name: benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2C=CC=CC2S1.Cc1[se]c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc2sc(C)nc2s1.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
• InChI: InChI=1S/C10H12S2.C10H8.C9H15N.C9H10S.C8H12O.C8H12S.C8H12Se.C6H6N2S2.C6H9NS.C6H6.C5H5N.11C2H6/c1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-2-6-10-8-4-3-7-9(10)5-1;1-6-7(2)9(4)10(5)8(6)3;1-7-6-8-4-2-3-5-9(8)10-7;3*1-5-6(2)8(4)9-7(5)3;1-3-7-5-6(9-3)8-4(2)10-5;1-4-5(2)8-6(3)7-4;2*1-2-4-6-5-3-1;11*1-2/h1-4H3;1-8H;1-5H3;2-6,8-9H,1H3;3*1-4H3;1-2H3;1-3H3;1-6H;1-5H;11*1-2H3
• InChIKey: JWGFSRPZHMQSIM-UHFFFAOYSA-N
• XLogP: 38.01
• TPSA: 69.63 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.02
LogP ≤ 5	38.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (CID 159042574) is benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2C=CC=CC2S1.Cc1[se]c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc2sc(C)nc2s1.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.

What is the InChIKey of benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is JWGFSRPZHMQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2.C10H8.C9H15N.C9H10S.C8H12O.C8H12S.C8H12Se.C6H6N2S2.C6H9NS.C6H6.C5H5N.11C2H6/c1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-2-6-10-8-4-3-7-9(10)5-1;1-6-7(2)9(4)10(5)8(6)3;1-7-6-8-4-2-3-5-9(8)10-7;3*1-5-6(2)8(4)9-7(5)3;1-3-7-5-6(9-3)8-4(2)10-5;1-4-5(2)8-6(3)7-4;2*1-2-4-6-5-3-1;11*1-2/h1-4H3;1-8H;1-5H3;2-6,8-9H,1H3;3*1-4H3;1-2H3;1-3H3;1-6H;1-5H;11*1-2H3.

What are the key properties of benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 1849.02 g/mol, XLogP of 38.01, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;ethane;2-methyl-3a,7a-dihydro-1-benzothiophene;naphthalene;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159042574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).