2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide

C16H12F2N2O3S — CID 126645019

IUPAC2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2nc3cc(F)c(F)cc3s2)cc1O
InChIInChI=1S/C16H12F2N2O3S/c1-19-15(22)4-8-2-3-9(5-13(8)21)23-16-20-12-6-10(17)11(18)7-14(12)24-16/h2-3,5-7,21H,4H2,1H3,(H,19,22)
InChIKeyZQVMOOCLCFKJNB-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide

2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide (PubChem CID 126645019) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
PubChem CID126645019
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2nc3cc(F)c(F)cc3s2)cc1O
InChIInChI=1S/C16H12F2N2O3S/c1-19-15(22)4-8-2-3-9(5-13(8)21)23-16-20-12-6-10(17)11(18)7-14(12)24-16/h2-3,5-7,21H,4H2,1H3,(H,19,22)
InChIKeyZQVMOOCLCFKJNB-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5,6-difluoro-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

Related Compounds

2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 155548442
2-[2-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 135312445
N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
CID 155563098
N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 21298108
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092
4-[5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061301
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-[2-ethyl-5-[(6-nitro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-hydroxycyclopent-2-en-1-one
CID 58061512
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-methylpropanoic acid
CID 126644742

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide (CID 126645019) is 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide is CNC(=O)Cc1ccc(Oc2nc3cc(F)c(F)cc3s2)cc1O.
What is the InChIKey of 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
The InChIKey is ZQVMOOCLCFKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-19-15(22)4-8-2-3-9(5-13(8)21)23-16-20-12-6-10(17)11(18)7-14(12)24-16/h2-3,5-7,21H,4H2,1H3,(H,19,22).
What are the key properties of 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide?
2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide has a molecular weight of 350.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide is sourced from PubChem (CID 126645019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).