5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione

C12H7FN2O2S — CID 112640986

IUPAC5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cncs2)c2ccc(F)cc21
InChIInChI=1S/C12H7FN2O2S/c13-7-1-2-10-9(3-7)11(16)12(17)15(10)5-8-4-14-6-18-8/h1-4,6H,5H2
InChIKeyPFSNXFTUTLZOIL-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.01
Rot. Bonds2

About 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione

5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione (PubChem CID 112640986) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
PubChem CID112640986
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cncs2)c2ccc(F)cc21
InChIInChI=1S/C12H7FN2O2S/c13-7-1-2-10-9(3-7)11(16)12(17)15(10)5-8-4-14-6-18-8/h1-4,6H,5H2
InChIKeyPFSNXFTUTLZOIL-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
CID 43424013
5-fluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63774759
5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione
CID 78943007
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-fluoroindole-2,3-dione
CID 80656794
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
5-fluoro-1-heptylindole-2,3-dione
CID 43129613

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione (CID 112640986) is 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2cncs2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione?
The InChIKey is PFSNXFTUTLZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-1-2-10-9(3-7)11(16)12(17)15(10)5-8-4-14-6-18-8/h1-4,6H,5H2.
What are the key properties of 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione?
5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione has a molecular weight of 262.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 112640986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).