2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine

C52H52N8S6 — CID 158098713

About 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine

2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine (PubChem CID 158098713) has the molecular formula C52H52N8S6 and a molecular weight of 981.45 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine
• PubChem CID: 158098713
• Molecular Formula: C52H52N8S6
• Molecular Weight: 981.45 g/mol
• Exact Mass: 980.26
• IUPAC Name: 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine
• SMILES: Cc1ccc2nc(C)sc2c1.Cc1ccc2sc(C)cc2n1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2n1.Cc1cnc2nc(C)sc2c1.Cc1cnc2sc(C)cc2c1
• InChI: InChI=1S/4C9H9NS.2C8H8N2S/c1-6-3-8-4-7(2)11-9(8)10-5-6;1-6-3-4-9-8(10-6)5-7(2)11-9;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-7-8(9-4-5)10-6(2)11-7;1-5-3-4-7-8(9-5)10-6(2)11-7/h4*3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: FOZHTMMDEJGPEW-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 103.12 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.45
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine?

The IUPAC name of 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine (CID 158098713) is 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine.

What is the SMILES notation for 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine?

The canonical SMILES for 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine is Cc1ccc2nc(C)sc2c1.Cc1ccc2sc(C)cc2n1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2n1.Cc1cnc2nc(C)sc2c1.Cc1cnc2sc(C)cc2c1.

What is the InChIKey of 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine?

The InChIKey is FOZHTMMDEJGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H9NS.2C8H8N2S/c1-6-3-8-4-7(2)11-9(8)10-5-6;1-6-3-4-9-8(10-6)5-7(2)11-9;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-7-8(9-4-5)10-6(2)11-7;1-5-3-4-7-8(9-5)10-6(2)11-7/h4*3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine?

2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine has a molecular weight of 981.45 g/mol, XLogP of 16.27, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine is sourced from PubChem (CID 158098713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).