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

C49H50F3N7O7S2 — CID 159433648

IUPAC2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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
SMILESCc1ccc2c(n1)OCCO2.Cc1ccc2sc(C)nc2n1.Cc1cnc2c(c1)OCCO2.Cc1nc2c(cc1F)CCO2.Cc1nc2c(cc1F)OCCO2.Cc1nc2cc(C)c(F)cc2s1
InChIInChI=1S/C9H8FNS.C8H8FNO2.C8H8FNO.C8H8N2S.2C8H9NO2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8;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;4H,2-3H2,1H3;4H,2-3H2,1H3;3-4H,1-2H3;4-5H,2-3H2,1H3;2-3H,4-5H2,1H3
InChIKeyLRHKFUTUVISZRK-UHFFFAOYSA-N
MW970.11 g/mol
LogP10.45
Rot. Bonds

About 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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;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 159433648) has the molecular formula C49H50F3N7O7S2 and a molecular weight of 970.11 g/mol. Its IUPAC name is 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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 Name2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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 CID159433648
Molecular FormulaC49H50F3N7O7S2
Molecular Weight970.11 g/mol
Exact Mass969.32
IUPAC Name2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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
SMILESCc1ccc2c(n1)OCCO2.Cc1ccc2sc(C)nc2n1.Cc1cnc2c(c1)OCCO2.Cc1nc2c(cc1F)CCO2.Cc1nc2c(cc1F)OCCO2.Cc1nc2cc(C)c(F)cc2s1
InChIInChI=1S/C9H8FNS.C8H8FNO2.C8H8FNO.C8H8N2S.2C8H9NO2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8;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;4H,2-3H2,1H3;4H,2-3H2,1H3;3-4H,1-2H3;4-5H,2-3H2,1H3;2-3H,4-5H2,1H3
InChIKeyLRHKFUTUVISZRK-UHFFFAOYSA-N
XLogP10.45
TPSA154.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.11
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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 with MolForge

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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;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;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 159433648) is 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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;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;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.
What is the InChIKey of 2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;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 LRHKFUTUVISZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS.C8H8FNO2.C8H8FNO.C8H8N2S.2C8H9NO2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8;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;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;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;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 970.11 g/mol, XLogP of 10.45, 0 rotatable bonds, 0 hydrogen bond donors, and 16 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;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 159433648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).