7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione

C14H10BrFN2O2S — CID 61484536

IUPAC7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
SMILESCCc1nc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cs1
InChIInChI=1S/C14H10BrFN2O2S/c1-2-11-17-8(6-21-11)5-18-12-9(13(19)14(18)20)3-7(16)4-10(12)15/h3-4,6H,2,5H2,1H3
InChIKeyIHUDAJMKTOMNNQ-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.34
Rot. Bonds3

About 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione

7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 61484536) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
PubChem CID61484536
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
SMILESCCc1nc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cs1
InChIInChI=1S/C14H10BrFN2O2S/c1-2-11-17-8(6-21-11)5-18-12-9(13(19)14(18)20)3-7(16)4-10(12)15/h3-4,6H,2,5H2,1H3
InChIKeyIHUDAJMKTOMNNQ-UHFFFAOYSA-N
XLogP3.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione with MolForge

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Related Compounds

LOR-NOR-c954e7ad-1
CID 5211997
5-Bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione
CID 3690926
1-(2-(4-Methyl-5-thiazolyl)ethyl)-1H-indole-2,3-dione
CID 2057138
5-Fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9325000
6-Fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 28782840
6-Fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
CID 28782856
5-Fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 28782860
5-Fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
CID 28782872
4-[(6-Fluoro-2,3-dioxoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664472
4-[(5-Fluoro-2,3-dioxoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664477
5-Fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61227933
7-Bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61354627

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione (CID 61484536) is 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione is CCc1nc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cs1.
What is the InChIKey of 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is IHUDAJMKTOMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-2-11-17-8(6-21-11)5-18-12-9(13(19)14(18)20)3-7(16)4-10(12)15/h3-4,6H,2,5H2,1H3.
What are the key properties of 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione?
7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione has a molecular weight of 369.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 61484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).