3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

C20H16N2O2S — CID 661140

IUPAC3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(23)22-19(17)25-13-20(22,24)15-9-5-2-6-10-15/h1-10,16,24H,11,13H2
InChIKeyUNAZSKRCBSOLLX-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.33
Rot. Bonds2

About 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 661140) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID661140
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(23)22-19(17)25-13-20(22,24)15-9-5-2-6-10-15/h1-10,16,24H,11,13H2
InChIKeyUNAZSKRCBSOLLX-UHFFFAOYSA-N
XLogP3.33
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 661140) is 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1.
What is the InChIKey of 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is UNAZSKRCBSOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(23)22-19(17)25-13-20(22,24)15-9-5-2-6-10-15/h1-10,16,24H,11,13H2.
What are the key properties of 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 348.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-3,7-diphenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 661140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).