4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol

C16H14FNO4S — CID 170355718

IUPAC4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol
SMILESCOc1cc(Oc2cc3sc(C)nc3cc2F)cc(OC)c1O
InChIInChI=1S/C16H14FNO4S/c1-8-18-11-6-10(17)12(7-15(11)23-8)22-9-4-13(20-2)16(19)14(5-9)21-3/h4-7,19H,1-3H3
InChIKeyHGNFYWNCRHMCFW-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.26
Rot. Bonds4

About 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol

4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol (PubChem CID 170355718) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol
PubChem CID170355718
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol
SMILESCOc1cc(Oc2cc3sc(C)nc3cc2F)cc(OC)c1O
InChIInChI=1S/C16H14FNO4S/c1-8-18-11-6-10(17)12(7-15(11)23-8)22-9-4-13(20-2)16(19)14(5-9)21-3/h4-7,19H,1-3H3
InChIKeyHGNFYWNCRHMCFW-UHFFFAOYSA-N
XLogP4.26
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol (CID 170355718) is 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol is COc1cc(Oc2cc3sc(C)nc3cc2F)cc(OC)c1O.
What is the InChIKey of 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol?
The InChIKey is HGNFYWNCRHMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-8-18-11-6-10(17)12(7-15(11)23-8)22-9-4-13(20-2)16(19)14(5-9)21-3/h4-7,19H,1-3H3.
What are the key properties of 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol?
4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol has a molecular weight of 335.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methyl-1,3-benzothiazol-6-yl)oxy]-2,6-dimethoxyphenol is sourced from PubChem (CID 170355718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).