4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

C19H18N2O4S — CID 19391012

IUPAC4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCCc1ccc(C(=O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)17(22)11-25-14-6-3-13(4-7-14)9-16-18(23)26-19(24)21-16/h3-8,10,16H,2,9,11H2,1H3,(H,21,24)
InChIKeyVXCQBGUEZYXJGS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.80
Rot. Bonds7

About 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 19391012) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID19391012
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCCc1ccc(C(=O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)17(22)11-25-14-6-3-13(4-7-14)9-16-18(23)26-19(24)21-16/h3-8,10,16H,2,9,11H2,1H3,(H,21,24)
InChIKeyVXCQBGUEZYXJGS-UHFFFAOYSA-N
XLogP2.80
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (CID 19391012) is 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is CCc1ccc(C(=O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1.
What is the InChIKey of 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is VXCQBGUEZYXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)17(22)11-25-14-6-3-13(4-7-14)9-16-18(23)26-19(24)21-16/h3-8,10,16H,2,9,11H2,1H3,(H,21,24).
What are the key properties of 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 370.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 19391012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).