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

C19H14F2N2O2S — CID 18973356

IUPAC4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2F)C(=O)S1
InChIInChI=1S/C19H14F2N2O2S/c20-14-5-1-4-12(17(14)21)10-23-8-7-13-11(3-2-6-16(13)23)9-15-18(24)26-19(25)22-15/h1-8,15H,9-10H2,(H,22,25)
InChIKeyAZXCDGQKSDWCQZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.86
Rot. Bonds4

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

4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 18973356) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID18973356
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2F)C(=O)S1
InChIInChI=1S/C19H14F2N2O2S/c20-14-5-1-4-12(17(14)21)10-23-8-7-13-11(3-2-6-16(13)23)9-15-18(24)26-19(25)22-15/h1-8,15H,9-10H2,(H,22,25)
InChIKeyAZXCDGQKSDWCQZ-UHFFFAOYSA-N
XLogP3.86
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.86
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-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione (CID 18973356) is 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione is O=C1NC(Cc2cccc3c2ccn3Cc2cccc(F)c2F)C(=O)S1.
What is the InChIKey of 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is AZXCDGQKSDWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-14-5-1-4-12(17(14)21)10-23-8-7-13-11(3-2-6-16(13)23)9-15-18(24)26-19(25)22-15/h1-8,15H,9-10H2,(H,22,25).
What are the key properties of 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 372.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,3-difluorophenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18973356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).