2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C57H57F4N9O7S3 — CID 159044531

About 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 159044531) has the molecular formula C57H57F4N9O7S3 and a molecular weight of 1152.33 g/mol. Its IUPAC name is 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 159044531
• Molecular Formula: C57H57F4N9O7S3
• Molecular Weight: 1152.33 g/mol
• Exact Mass: 1151.35
• IUPAC Name: 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)OCCO2.Cc1ccc2sc(C)nc2n1.Cc1cnc2c(c1)OCCO2.Cc1nc2c(cc1F)CCO2.Cc1nc2c(cc1F)OCCO2.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2nc(C)c(F)cc2s1
• InChI: InChI=1S/C9H8FNS.C8H7FN2S.C8H8FNO2.C8H8FNO.C8H8N2S.2C8H9NO2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-4-6(9)3-7-8(10-4)11-5(2)12-7;1-5-6(9)4-7-8(10-5)12-3-2-11-7;1-5-7(9)4-6-2-3-11-8(6)10-5;1-5-3-4-7-8(9-5)10-6(2)11-7;1-6-4-7-8(9-5-6)11-3-2-10-7;1-6-2-3-7-8(9-6)11-5-4-10-7/h3-4H,1-2H3;3H,1-2H3;4H,2-3H2,1H3;4H,2-3H2,1H3;3-4H,1-2H3;4-5H,2-3H2,1H3;2-3H,4-5H2,1H3
• InChIKey: JWMGVCLJTUPDSJ-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 180.62 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.33
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 159044531) is 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1ccc2c(n1)OCCO2.Cc1ccc2sc(C)nc2n1.Cc1cnc2c(c1)OCCO2.Cc1nc2c(cc1F)CCO2.Cc1nc2c(cc1F)OCCO2.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2nc(C)c(F)cc2s1.

What is the InChIKey of 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is JWMGVCLJTUPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS.C8H7FN2S.C8H8FNO2.C8H8FNO.C8H8N2S.2C8H9NO2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-4-6(9)3-7-8(10-4)11-5(2)12-7;1-5-6(9)4-7-8(10-5)12-3-2-11-7;1-5-7(9)4-6-2-3-11-8(6)10-5;1-5-3-4-7-8(9-5)10-6(2)11-7;1-6-4-7-8(9-5-6)11-3-2-10-7;1-6-2-3-7-8(9-6)11-5-4-10-7/h3-4H,1-2H3;3H,1-2H3;4H,2-3H2,1H3;4H,2-3H2,1H3;3-4H,1-2H3;4-5H,2-3H2,1H3;2-3H,4-5H2,1H3.

What are the key properties of 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 1152.33 g/mol, XLogP of 12.89, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;7-fluoro-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-fluoro-6-methyl-2,3-dihydrofuro[2,3-b]pyridine;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 159044531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).