2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine

C24H19FN2O2S — CID 67112776

IUPAC2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESC=C(c1ccccc1)c1cc2sc(-c3ccc(C4OCCCO4)cc3F)nc2cn1
InChIInChI=1S/C24H19FN2O2S/c1-15(16-6-3-2-4-7-16)20-13-22-21(14-26-20)27-23(30-22)18-9-8-17(12-19(18)25)24-28-10-5-11-29-24/h2-4,6-9,12-14,24H,1,5,10-11H2
InChIKeyGEYCATIBODYCEL-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.99
Rot. Bonds4

About 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine

2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 67112776) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID67112776
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESC=C(c1ccccc1)c1cc2sc(-c3ccc(C4OCCCO4)cc3F)nc2cn1
InChIInChI=1S/C24H19FN2O2S/c1-15(16-6-3-2-4-7-16)20-13-22-21(14-26-20)27-23(30-22)18-9-8-17(12-19(18)25)24-28-10-5-11-29-24/h2-4,6-9,12-14,24H,1,5,10-11H2
InChIKeyGEYCATIBODYCEL-UHFFFAOYSA-N
XLogP5.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine (CID 67112776) is 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine is C=C(c1ccccc1)c1cc2sc(-c3ccc(C4OCCCO4)cc3F)nc2cn1.
What is the InChIKey of 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is GEYCATIBODYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-15(16-6-3-2-4-7-16)20-13-22-21(14-26-20)27-23(30-22)18-9-8-17(12-19(18)25)24-28-10-5-11-29-24/h2-4,6-9,12-14,24H,1,5,10-11H2.
What are the key properties of 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 418.49 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-6-(1-phenylethenyl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 67112776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).