4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione

C19H14F2N2O2S — CID 18973311

IUPAC4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
SMILESCN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1c(F)cccc1F
InChIInChI=1S/C19H14F2N2O2S/c1-22-17(18(24)26-19(22)25)12-4-2-7-16-11(12)8-9-23(16)10-13-14(20)5-3-6-15(13)21/h2-9,17H,10H2,1H3
InChIKeyIVEWXUXOEVHXOK-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.33
Rot. Bonds3

About 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione

4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione (PubChem CID 18973311) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
PubChem CID18973311
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione
SMILESCN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1c(F)cccc1F
InChIInChI=1S/C19H14F2N2O2S/c1-22-17(18(24)26-19(22)25)12-4-2-7-16-11(12)8-9-23(16)10-13-14(20)5-3-6-15(13)21/h2-9,17H,10H2,1H3
InChIKeyIVEWXUXOEVHXOK-UHFFFAOYSA-N
XLogP4.33
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.33
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-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione (CID 18973311) is 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione is CN1C(=O)SC(=O)C1c1cccc2c1ccn2Cc1c(F)cccc1F.
What is the InChIKey of 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
The InChIKey is IVEWXUXOEVHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c1-22-17(18(24)26-19(22)25)12-4-2-7-16-11(12)8-9-23(16)10-13-14(20)5-3-6-15(13)21/h2-9,17H,10H2,1H3.
What are the key properties of 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione?
4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione has a molecular weight of 372.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,6-difluorophenyl)methyl]indol-4-yl]-3-methyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).