5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione

C19H15F3N2O3S — CID 11596653

IUPAC5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCCc3cc(Oc4cc(C(F)(F)F)ccn4)ccc32)S1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)11-6-7-23-15(9-11)27-12-4-5-13-10(8-12)2-1-3-14(13)16-17(25)24-18(26)28-16/h4-9,14,16H,1-3H2,(H,24,25,26)/t14-,16?/m1/s1
InChIKeyGKINUQGJKGXUIM-IURRXHLWSA-N
MW408.40 g/mol
LogP4.66
Rot. Bonds3

About 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione

5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 11596653) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID11596653
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCCc3cc(Oc4cc(C(F)(F)F)ccn4)ccc32)S1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)11-6-7-23-15(9-11)27-12-4-5-13-10(8-12)2-1-3-14(13)16-17(25)24-18(26)28-16/h4-9,14,16H,1-3H2,(H,24,25,26)/t14-,16?/m1/s1
InChIKeyGKINUQGJKGXUIM-IURRXHLWSA-N
XLogP4.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione (CID 11596653) is 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCCc3cc(Oc4cc(C(F)(F)F)ccn4)ccc32)S1.
What is the InChIKey of 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GKINUQGJKGXUIM-IURRXHLWSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c20-19(21,22)11-6-7-23-15(9-11)27-12-4-5-13-10(8-12)2-1-3-14(13)16-17(25)24-18(26)28-16/h4-9,14,16H,1-3H2,(H,24,25,26)/t14-,16?/m1/s1.
What are the key properties of 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 408.40 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).