5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol

C13H13FN2O2S — CID 118310059

IUPAC5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
SMILESOc1cc(F)ccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H13FN2O2S/c14-9-1-2-10(12(17)7-9)11-8-19-13(15-11)16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2
InChIKeyBBWODNAIFWMCQL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.49
Rot. Bonds2

About 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol

5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol (PubChem CID 118310059) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
PubChem CID118310059
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
SMILESOc1cc(F)ccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H13FN2O2S/c14-9-1-2-10(12(17)7-9)11-8-19-13(15-11)16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2
InChIKeyBBWODNAIFWMCQL-UHFFFAOYSA-N
XLogP2.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol (CID 118310059) is 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol is Oc1cc(F)ccc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
The InChIKey is BBWODNAIFWMCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-9-1-2-10(12(17)7-9)11-8-19-13(15-11)16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2.
What are the key properties of 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol?
5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 280.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 118310059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).