6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol

C13H12F2N2O2S — CID 102284035

IUPAC6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
SMILESOCCN1CC(O)(c2nccs2)c2ccc(F)c(F)c21
InChIInChI=1S/C13H12F2N2O2S/c14-9-2-1-8-11(10(9)15)17(4-5-18)7-13(8,19)12-16-3-6-20-12/h1-3,6,18-19H,4-5,7H2
InChIKeyMGNJNDZHSHHCPC-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.47
Rot. Bonds3

About 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol

6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol (PubChem CID 102284035) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol.

Molecular Properties

Compound Name6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
PubChem CID102284035
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
SMILESOCCN1CC(O)(c2nccs2)c2ccc(F)c(F)c21
InChIInChI=1S/C13H12F2N2O2S/c14-9-2-1-8-11(10(9)15)17(4-5-18)7-13(8,19)12-16-3-6-20-12/h1-3,6,18-19H,4-5,7H2
InChIKeyMGNJNDZHSHHCPC-UHFFFAOYSA-N
XLogP1.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The IUPAC name of 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol (CID 102284035) is 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol.
What is the SMILES notation for 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The canonical SMILES for 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol is OCCN1CC(O)(c2nccs2)c2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The InChIKey is MGNJNDZHSHHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-9-2-1-8-11(10(9)15)17(4-5-18)7-13(8,19)12-16-3-6-20-12/h1-3,6,18-19H,4-5,7H2.
What are the key properties of 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol has a molecular weight of 298.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol is sourced from PubChem (CID 102284035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).