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

C20H15ClN2O2S — CID 23854406

IUPAC3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccc(Cl)cc3)N2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-8-6-14(7-9-15)20(25)12-26-19-17(11-22)16(10-18(24)23(19)20)13-4-2-1-3-5-13/h1-9,16,25H,10,12H2
InChIKeyBISHMIJWEQLURS-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.98
Rot. Bonds2

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

3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23854406) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23854406
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccc(Cl)cc3)N2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-8-6-14(7-9-15)20(25)12-26-19-17(11-22)16(10-18(24)23(19)20)13-4-2-1-3-5-13/h1-9,16,25H,10,12H2
InChIKeyBISHMIJWEQLURS-UHFFFAOYSA-N
XLogP3.98
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23854406) is 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is N#CC1=C2SCC(O)(c3ccc(Cl)cc3)N2C(=O)CC1c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is BISHMIJWEQLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-15-8-6-14(7-9-15)20(25)12-26-19-17(11-22)16(10-18(24)23(19)20)13-4-2-1-3-5-13/h1-9,16,25H,10,12H2.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 382.87 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-5-oxo-7-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23854406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).