4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione

C19H15FN2O2S — CID 18973307

IUPAC4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2)C(=O)S1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)11-22-8-7-15-13(4-2-6-17(15)22)10-16-18(23)25-19(24)21-16/h1-9,16H,10-11H2,(H,21,24)
InChIKeyBYONKHORDNTTPA-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.72
Rot. Bonds4

About 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione

4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 18973307) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID18973307
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2)C(=O)S1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)11-22-8-7-15-13(4-2-6-17(15)22)10-16-18(23)25-19(24)21-16/h1-9,16H,10-11H2,(H,21,24)
InChIKeyBYONKHORDNTTPA-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione (CID 18973307) is 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione is O=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2)C(=O)S1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is BYONKHORDNTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)11-22-8-7-15-13(4-2-6-17(15)22)10-16-18(23)25-19(24)21-16/h1-9,16H,10-11H2,(H,21,24).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).