5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

C13H9FN2O2S — CID 28782860

IUPAC5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1
InChIInChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-3-2-8(14)4-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3
InChIKeyOMYIITLCLUCGCV-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.32
Rot. Bonds2

About 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (PubChem CID 28782860) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
PubChem CID28782860
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1
InChIInChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-3-2-8(14)4-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3
InChIKeyOMYIITLCLUCGCV-UHFFFAOYSA-N
XLogP2.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (CID 28782860) is 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1.
What is the InChIKey of 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is OMYIITLCLUCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-3-2-8(14)4-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3.
What are the key properties of 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 276.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 28782860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).