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

C13H8ClFN2O2S — CID 79336284

IUPAC5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)cs1
InChIInChI=1S/C13H8ClFN2O2S/c1-6-16-7(5-20-6)4-17-11-3-10(15)9(14)2-8(11)12(18)13(17)19/h2-3,5H,4H2,1H3
InChIKeySTTLYLRXXIFDSH-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.97
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (PubChem CID 79336284) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
PubChem CID79336284
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)cs1
InChIInChI=1S/C13H8ClFN2O2S/c1-6-16-7(5-20-6)4-17-11-3-10(15)9(14)2-8(11)12(18)13(17)19/h2-3,5H,4H2,1H3
InChIKeySTTLYLRXXIFDSH-UHFFFAOYSA-N
XLogP2.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.97
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-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (CID 79336284) is 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)cs1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is STTLYLRXXIFDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c1-6-16-7(5-20-6)4-17-11-3-10(15)9(14)2-8(11)12(18)13(17)19/h2-3,5H,4H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 310.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79336284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).