6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione

C12H7FN2O2S — CID 28782856

IUPAC6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cscn2)c2cc(F)ccc21
InChIInChI=1S/C12H7FN2O2S/c13-7-1-2-9-10(3-7)15(12(17)11(9)16)4-8-5-18-6-14-8/h1-3,5-6H,4H2
InChIKeyDCKRKIUTILXQDO-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.01
Rot. Bonds2

About 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione

6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione (PubChem CID 28782856) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
PubChem CID28782856
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cscn2)c2cc(F)ccc21
InChIInChI=1S/C12H7FN2O2S/c13-7-1-2-9-10(3-7)15(12(17)11(9)16)4-8-5-18-6-14-8/h1-3,5-6H,4H2
InChIKeyDCKRKIUTILXQDO-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

LOR-NOR-c954e7ad-1
CID 5211997
1-(4-Fluorophenyl)-2-((4-(2-(indolin-1-yl)-2-oxoethyl)thiazol-2-yl)thio)ethanone
CID 25834950
(3E)-5-fluoro-3-[2-oxo-2-(1,3-thiazol-2-yl)ethylidene]-1H-indol-2-one
CID 137640912
8-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)-1-(2-oxopropyl)quinolin-4-one
CID 177641320
6-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)-1-(2-oxopropyl)quinolin-4-one
CID 177643575
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-5-nitroindole-2,3-dione
CID 5219612
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 164640742
N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-4-carboxamide
CID 58578191
1-[4-[4-(2,3-Dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 67309885
1-(2-(4-Methyl-5-thiazolyl)ethyl)-1H-indole-2,3-dione
CID 2057138
US20250091994, Example 55
CID 176248060
2-(4-Fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 4236973

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione?
The IUPAC name of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione (CID 28782856) is 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2cscn2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione?
The InChIKey is DCKRKIUTILXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-1-2-9-10(3-7)15(12(17)11(9)16)4-8-5-18-6-14-8/h1-3,5-6H,4H2.
What are the key properties of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione?
6-fluoro-1-(1,3-thiazol-4-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 6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 28782856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).