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

C19H15FN2O2S — CID 18973247

IUPAC4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
SMILESCN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1ccccc1F
InChIInChI=1S/C19H15FN2O2S/c1-21-17(18(23)25-19(21)24)14-6-4-8-16-13(14)9-10-22(16)11-12-5-2-3-7-15(12)20/h2-10,17H,11H2,1H3
InChIKeyDQWABGIRYWSDBS-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.20
Rot. Bonds3

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

4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione (PubChem CID 18973247) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
PubChem CID18973247
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
SMILESCN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1ccccc1F
InChIInChI=1S/C19H15FN2O2S/c1-21-17(18(23)25-19(21)24)14-6-4-8-16-13(14)9-10-22(16)11-12-5-2-3-7-15(12)20/h2-10,17H,11H2,1H3
InChIKeyDQWABGIRYWSDBS-UHFFFAOYSA-N
XLogP4.20
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione (CID 18973247) is 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione is CN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1ccccc1F.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The InChIKey is DQWABGIRYWSDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-21-17(18(23)25-19(21)24)14-6-4-8-16-13(14)9-10-22(16)11-12-5-2-3-7-15(12)20/h2-10,17H,11H2,1H3.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).