5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine

C16H12ClFN2O2S — CID 86638718

IUPAC5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1cc(C2OCCCO2)ccc1-c1nc2nc(Cl)ccc2s1
InChIInChI=1S/C16H12ClFN2O2S/c17-13-5-4-12-14(19-13)20-15(23-12)10-3-2-9(8-11(10)18)16-21-6-1-7-22-16/h2-5,8,16H,1,6-7H2
InChIKeyILAIPOOQUOIKFG-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.59
Rot. Bonds2

About 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine

5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 86638718) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID86638718
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1cc(C2OCCCO2)ccc1-c1nc2nc(Cl)ccc2s1
InChIInChI=1S/C16H12ClFN2O2S/c17-13-5-4-12-14(19-13)20-15(23-12)10-3-2-9(8-11(10)18)16-21-6-1-7-22-16/h2-5,8,16H,1,6-7H2
InChIKeyILAIPOOQUOIKFG-UHFFFAOYSA-N
XLogP4.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine (CID 86638718) is 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine is Fc1cc(C2OCCCO2)ccc1-c1nc2nc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ILAIPOOQUOIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c17-13-5-4-12-14(19-13)20-15(23-12)10-3-2-9(8-11(10)18)16-21-6-1-7-22-16/h2-5,8,16H,1,6-7H2.
What are the key properties of 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine?
5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 350.80 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 86638718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).