7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

C18H13FN2O3S — CID 23604467

IUPAC7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccco3)N2C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3S/c19-12-5-3-11(4-6-12)13-8-16(22)21-17(14(13)9-20)25-10-18(21,23)15-2-1-7-24-15/h1-7,13,23H,8,10H2
InChIKeyXREZZXCKUMNOGZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.06
Rot. Bonds2

About 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23604467) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23604467
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccco3)N2C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3S/c19-12-5-3-11(4-6-12)13-8-16(22)21-17(14(13)9-20)25-10-18(21,23)15-2-1-7-24-15/h1-7,13,23H,8,10H2
InChIKeyXREZZXCKUMNOGZ-UHFFFAOYSA-N
XLogP3.06
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23604467) is 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is N#CC1=C2SCC(O)(c3ccco3)N2C(=O)CC1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is XREZZXCKUMNOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-12-5-3-11(4-6-12)13-8-16(22)21-17(14(13)9-20)25-10-18(21,23)15-2-1-7-24-15/h1-7,13,23H,8,10H2.
What are the key properties of 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 356.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23604467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).