6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile

C16H10N4OS — CID 90681362

IUPAC6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2SCC(=O)N2c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H10N4OS/c17-7-11-1-4-13(5-2-11)16-20(15(21)10-22-16)14-6-3-12(8-18)9-19-14/h1-6,9,16H,10H2
InChIKeyFSCNWMNLUVMCCS-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.60
Rot. Bonds2

About 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile

6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile (PubChem CID 90681362) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile
PubChem CID90681362
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2SCC(=O)N2c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H10N4OS/c17-7-11-1-4-13(5-2-11)16-20(15(21)10-22-16)14-6-3-12(8-18)9-19-14/h1-6,9,16H,10H2
InChIKeyFSCNWMNLUVMCCS-UHFFFAOYSA-N
XLogP2.60
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[4-(2,4-Dioxo-1-thia-3-aza-spiro[4.4]non-3-yl)-butyl]-piperazin-1-yl}-nicotinonitrile
CID 135066
2-[4-[4-(2,4-Dioxo-1,3-thiazolidin-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 13059832
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(2-pyridinyl)-
CID 486676
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486682
2-(2-Chloro-6-fluoro-phenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 501027
2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-thiazolidin-4-one
CID 501038
2-(2,4-Dichlorophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 2732468
6-(2-(2-Oxo-2-(thiazolidin-3-yl)ethylamino)ethylamino)nicotinonitrile
CID 9907074
2-(2,6-Dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 25188737
3-(4-Methylbenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2737851

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile (CID 90681362) is 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile is N#Cc1ccc(C2SCC(=O)N2c2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile?
The InChIKey is FSCNWMNLUVMCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c17-7-11-1-4-13(5-2-11)16-20(15(21)10-22-16)14-6-3-12(8-18)9-19-14/h1-6,9,16H,10H2.
What are the key properties of 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile?
6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile has a molecular weight of 306.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90681362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).