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

C20H15FN2O3S — CID 92669511

IUPAC(3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2/t16-,20+/m1/s1
InChIKeyPZWMNYSNMOZLCA-UZLBHIALSA-N
MW382.42 g/mol
LogP3.17
Rot. Bonds2

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

(3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 92669511) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name(3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID92669511
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name(3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2/t16-,20+/m1/s1
InChIKeyPZWMNYSNMOZLCA-UZLBHIALSA-N
XLogP3.17
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 92669511) is (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1cccc(O)c1.
What is the InChIKey of (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is PZWMNYSNMOZLCA-UZLBHIALSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2/t16-,20+/m1/s1.
What are the key properties of (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
(3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 92669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).