2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C14H14FNO2S — CID 81304076

IUPAC2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOc1ccc(-c2nc3c(s2)CCCC3O)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-18-8-5-6-9(10(15)7-8)14-16-13-11(17)3-2-4-12(13)19-14/h5-7,11,17H,2-4H2,1H3
InChIKeyURXJJSNLGDOMDJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.33
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 81304076) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID81304076
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOc1ccc(-c2nc3c(s2)CCCC3O)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-18-8-5-6-9(10(15)7-8)14-16-13-11(17)3-2-4-12(13)19-14/h5-7,11,17H,2-4H2,1H3
InChIKeyURXJJSNLGDOMDJ-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 81304076) is 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is COc1ccc(-c2nc3c(s2)CCCC3O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is URXJJSNLGDOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-18-8-5-6-9(10(15)7-8)14-16-13-11(17)3-2-4-12(13)19-14/h5-7,11,17H,2-4H2,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 279.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 81304076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).