6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile

C18H17N3O2S2 — CID 3866355

IUPAC6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C2SCC(=O)N2CCc2ccc(O)cc2)ccc1C#N
InChIInChI=1S/C18H17N3O2S2/c1-24-17-13(10-19)4-7-15(20-17)18-21(16(23)11-25-18)9-8-12-2-5-14(22)6-3-12/h2-7,18,22H,8-9,11H2,1H3
InChIKeyAPCIODWMKBPBLM-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.20
Rot. Bonds5

About 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile

6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 3866355) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID3866355
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C2SCC(=O)N2CCc2ccc(O)cc2)ccc1C#N
InChIInChI=1S/C18H17N3O2S2/c1-24-17-13(10-19)4-7-15(20-17)18-21(16(23)11-25-18)9-8-12-2-5-14(22)6-3-12/h2-7,18,22H,8-9,11H2,1H3
InChIKeyAPCIODWMKBPBLM-UHFFFAOYSA-N
XLogP3.20
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile (CID 3866355) is 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(C2SCC(=O)N2CCc2ccc(O)cc2)ccc1C#N.
What is the InChIKey of 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is APCIODWMKBPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-24-17-13(10-19)4-7-15(20-17)18-21(16(23)11-25-18)9-8-12-2-5-14(22)6-3-12/h2-7,18,22H,8-9,11H2,1H3.
What are the key properties of 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile?
6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 371.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 3866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).