5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile

C19H15F2N3O3S — CID 167505412

IUPAC5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
SMILESN#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CN2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C19H15F2N3O3S/c20-16-3-2-13(8-12(16)10-22)27-19-15(11-24-6-1-7-28(24,25)26)14-4-5-23-18(14)9-17(19)21/h2-5,8-9,23H,1,6-7,11H2
InChIKeySNBHRXABEIKANA-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.65
Rot. Bonds4

About 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile

5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile (PubChem CID 167505412) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
PubChem CID167505412
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC Name5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
SMILESN#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CN2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C19H15F2N3O3S/c20-16-3-2-13(8-12(16)10-22)27-19-15(11-24-6-1-7-28(24,25)26)14-4-5-23-18(14)9-17(19)21/h2-5,8-9,23H,1,6-7,11H2
InChIKeySNBHRXABEIKANA-UHFFFAOYSA-N
XLogP3.65
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
CID 171078652
2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]benzonitrile
CID 171078040
5-[[4-(5-azidopentyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
CID 174253466
2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
CID 167505529
tert-butyl 3-[3-[5-(3-cyano-4-fluorophenoxy)-6-fluoro-1H-indol-4-yl]prop-2-ynoxy]propanoate
CID 171079141
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
CID 171078931
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847
methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167504860
5-[[4-(2,2-difluoroethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504472
5-[[4-(azidomethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 171076713
4-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(4-fluoro-3-isocyanophenoxy)-1H-indole
CID 176852395
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile?
The IUPAC name of 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile (CID 167505412) is 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile is N#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CN2CCCS2(=O)=O)ccc1F.
What is the InChIKey of 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile?
The InChIKey is SNBHRXABEIKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-16-3-2-13(8-12(16)10-22)27-19-15(11-24-6-1-7-28(24,25)26)14-4-5-23-18(14)9-17(19)21/h2-5,8-9,23H,1,6-7,11H2.
What are the key properties of 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile?
5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile has a molecular weight of 403.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile is sourced from PubChem (CID 167505412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).