2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol

C13H12F2N2O2S — CID 118314647

IUPAC2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
SMILESOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
InChIKeyMSJISRJFQIZJOG-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.63
Rot. Bonds2

About 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol

2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol (PubChem CID 118314647) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
PubChem CID118314647
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
SMILESOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
InChIKeyMSJISRJFQIZJOG-UHFFFAOYSA-N
XLogP2.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol (CID 118314647) is 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol is Oc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The InChIKey is MSJISRJFQIZJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2.
What are the key properties of 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 298.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 118314647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).