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

C13H8F2N2O2S — CID 61359679

IUPAC4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)cs1
InChIInChI=1S/C13H8F2N2O2S/c1-6-16-8(5-20-6)4-17-10-3-7(14)2-9(15)11(10)12(18)13(17)19/h2-3,5H,4H2,1H3
InChIKeyOTBZSOAOONRJMV-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.46
Rot. Bonds2

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

4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (PubChem CID 61359679) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
PubChem CID61359679
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)cs1
InChIInChI=1S/C13H8F2N2O2S/c1-6-16-8(5-20-6)4-17-10-3-7(14)2-9(15)11(10)12(18)13(17)19/h2-3,5H,4H2,1H3
InChIKeyOTBZSOAOONRJMV-UHFFFAOYSA-N
XLogP2.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.46
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 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (CID 61359679) is 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)cs1.
What is the InChIKey of 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is OTBZSOAOONRJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c1-6-16-8(5-20-6)4-17-10-3-7(14)2-9(15)11(10)12(18)13(17)19/h2-3,5H,4H2,1H3.
What are the key properties of 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 294.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).