2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

C44H57N7S8 — CID 158525464

About 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (PubChem CID 158525464) has the molecular formula C44H57N7S8 and a molecular weight of 940.52 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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: 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 158525464
• Molecular Formula: C44H57N7S8
• Molecular Weight: 940.52 g/mol
• Exact Mass: 939.24
• IUPAC Name: 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
• SMILES: Cc1c(C)c(C)c2nsnc2c1C.Cc1nc(C)c(C)s1.Cc1nc2sc(C)nc2s1.Cc1nnc(C)s1.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C
• InChI: InChI=1S/C10H12N2S.C10H12S2.C8H12S.C6H6N2S2.C6H9NS.C4H6N2S/c1-5-6(2)8(4)10-9(7(5)3)11-13-12-10;1-5-7(3)11-10-6(2)8(4)12-9(5)10;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;1-3-5-6-4(2)7-3/h1-4H3;1-4H3;1-4H3;1-2H3;1-3H3;1-2H3
• InChIKey: HMSRSBXFULDKBS-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 90.23 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.52
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (CID 158525464) is 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole is Cc1c(C)c(C)c2nsnc2c1C.Cc1nc(C)c(C)s1.Cc1nc2sc(C)nc2s1.Cc1nnc(C)s1.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.

What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is HMSRSBXFULDKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C10H12S2.C8H12S.C6H6N2S2.C6H9NS.C4H6N2S/c1-5-6(2)8(4)10-9(7(5)3)11-13-12-10;1-5-7(3)11-10-6(2)8(4)12-9(5)10;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;1-3-5-6-4(2)7-3/h1-4H3;1-4H3;1-4H3;1-2H3;1-3H3;1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?

2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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 940.52 g/mol, XLogP of 15.70, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;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 158525464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).