2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine

C88H132N16O2S2 — CID 157474605

About 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine

2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine (PubChem CID 157474605) has the molecular formula C88H132N16O2S2 and a molecular weight of 1510.27 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine
• PubChem CID: 157474605
• Molecular Formula: C88H132N16O2S2
• Molecular Weight: 1510.27 g/mol
• Exact Mass: 1509.02
• IUPAC Name: 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2n1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2n1.Cc1ccn2ccnc2c1.Cc1ccn2ccnc2n1.Cc1cnc2c(c1)nc(C)n2C
• InChI: InChI=1S/C10H12N2.C9H11N3.C9H9NO.C9H9NS.C8H8N2O.C8H8N2S.C8H8N2.C7H7N3.10C2H6/c1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-4-8-9(10-5-6)12(3)7(2)11-8;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-5-3-4-7-8(9-5)10-6(2)11-7;1-7-2-4-10-5-3-9-8(10)6-7;1-6-2-4-10-5-3-8-7(10)9-6;10*1-2/h4-6H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2-6H,1H3;2-5H,1H3;10*1-2H3
• InChIKey: BVLBGMPHEVFUSI-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 199.64 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.27
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine?

The IUPAC name of 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine (CID 157474605) is 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine.

What is the SMILES notation for 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine?

The canonical SMILES for 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2n1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2n1.Cc1ccn2ccnc2c1.Cc1ccn2ccnc2n1.Cc1cnc2c(c1)nc(C)n2C.

What is the InChIKey of 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine?

The InChIKey is BVLBGMPHEVFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H11N3.C9H9NO.C9H9NS.C8H8N2O.C8H8N2S.C8H8N2.C7H7N3.10C2H6/c1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-4-8-9(10-5-6)12(3)7(2)11-8;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-5-3-4-7-8(9-5)10-6(2)11-7;1-7-2-4-10-5-3-9-8(10)6-7;1-6-2-4-10-5-3-8-7(10)9-6;10*1-2/h4-6H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2-6H,1H3;2-5H,1H3;10*1-2H3.

What are the key properties of 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine?

2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine has a molecular weight of 1510.27 g/mol, XLogP of 26.22, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 157474605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).