2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C19H20FN5O3S — CID 145128284

IUPAC2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2sc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C13H13FN2S.C6H7N3O3/c1-16-7-6-12-11(8-16)15-13(17-12)9-2-4-10(14)5-3-9;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-5H,6-8H2,1H3;3-4H,2H2,1H3
InChIKeyRENFFJMEYZQEFA-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.51
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 145128284) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID145128284
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2sc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C13H13FN2S.C6H7N3O3/c1-16-7-6-12-11(8-16)15-13(17-12)9-2-4-10(14)5-3-9;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-5H,6-8H2,1H3;3-4H,2H2,1H3
InChIKeyRENFFJMEYZQEFA-UHFFFAOYSA-N
XLogP3.51
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 145128284) is 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2sc(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is RENFFJMEYZQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S.C6H7N3O3/c1-16-7-6-12-11(8-16)15-13(17-12)9-2-4-10(14)5-3-9;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-5H,6-8H2,1H3;3-4H,2H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 417.47 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 145128284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).