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

C13H9FN2O2S — CID 28782840

IUPAC6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3ccc(F)cc32)cs1
InChIInChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-4-8(14)2-3-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3
InChIKeyFXTLNDBXXRWCIH-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.32
Rot. Bonds2

About 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (PubChem CID 28782840) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
PubChem CID28782840
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3ccc(F)cc32)cs1
InChIInChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-4-8(14)2-3-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3
InChIKeyFXTLNDBXXRWCIH-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'}

Analyze 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione with MolForge

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Related Compounds

N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 2080713
LOR-NOR-c954e7ad-1
CID 5211997
1-(4-Fluorophenyl)-2-((4-(2-(indolin-1-yl)-2-oxoethyl)thiazol-2-yl)thio)ethanone
CID 25834950
7-Fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 38875931
3-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-7-fluoroquinazolin-4-one
CID 39005221
8-Fluoro-2-({[1-(2-methyl-1,3-thiazol-4-YL)ethyl]amino}methyl)quinolin-4-OL
CID 72860161
6-fluoro-2-[[3-(4-methyl-1,3-thiazol-2-yl)propylamino]methyl]-1H-quinolin-4-one
CID 72889305
1-methyl-1'-[(2-propyl-1,3-thiazol-4-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one
CID 72901795
2-({[2-(2-Ethyl-1,3-thiazol-4-YL)ethyl]amino}methyl)-6-fluoroquinolin-4-OL
CID 72908521
8-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)-1-(2-oxopropyl)quinolin-4-one
CID 177641320
8-fluoro-3-(2-methyl-1,3-thiazol-4-yl)-1H-quinolin-4-one
CID 177642472
6,7-Difluoro-3-(2-methyl-1,3-thiazol-4-yl)-1-(2-oxopropyl)quinolin-4-one
CID 177642484

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (CID 28782840) is 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3ccc(F)cc32)cs1.
What is the InChIKey of 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is FXTLNDBXXRWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-7-15-9(6-19-7)5-16-11-4-8(14)2-3-10(11)12(17)13(16)18/h2-4,6H,5H2,1H3.
What are the key properties of 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
6-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 6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 28782840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).