5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H16N2O3S2 — CID 14301813

IUPAC5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)S1
InChIInChI=1S/C20H16N2O3S2/c23-19-17(27-20(24)22-19)10-13-6-8-15(9-7-13)25-11-18-21-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H,22,23,24)
InChIKeyLROPPGYGCFVJLT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.28
Rot. Bonds6

About 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14301813) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14301813
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)S1
InChIInChI=1S/C20H16N2O3S2/c23-19-17(27-20(24)22-19)10-13-6-8-15(9-7-13)25-11-18-21-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H,22,23,24)
InChIKeyLROPPGYGCFVJLT-UHFFFAOYSA-N
XLogP4.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.28
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 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14301813) is 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)S1.
What is the InChIKey of 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LROPPGYGCFVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c23-19-17(27-20(24)22-19)10-13-6-8-15(9-7-13)25-11-18-21-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H,22,23,24).
What are the key properties of 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14301813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).