2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide

C16H13FN2O3S — CID 126644690

IUPAC2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2nc3ccc(F)cc3s2)cc1O
InChIInChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)
InChIKeyVNVALNOVDDOJNH-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide

2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide (PubChem CID 126644690) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
PubChem CID126644690
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2nc3ccc(F)cc3s2)cc1O
InChIInChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)
InChIKeyVNVALNOVDDOJNH-UHFFFAOYSA-N
XLogP3.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide (CID 126644690) is 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide is CNC(=O)Cc1ccc(Oc2nc3ccc(F)cc3s2)cc1O.
What is the InChIKey of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The InChIKey is VNVALNOVDDOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21).
What are the key properties of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide has a molecular weight of 332.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide is sourced from PubChem (CID 126644690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).