5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol

C19H19F2NOS — CID 144565740

IUPAC5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1c(C)c(O)cc(F)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19F2NOS/c1-5-19(3,4)17-10(2)14(23)9-12(21)16(17)18-22-13-7-6-11(20)8-15(13)24-18/h6-9,23H,5H2,1-4H3
InChIKeyOYQSZDMLRVHUIA-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.94
Rot. Bonds3

About 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol

5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol (PubChem CID 144565740) has the molecular formula C19H19F2NOS and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol
PubChem CID144565740
Molecular FormulaC19H19F2NOS
Molecular Weight347.43 g/mol
Exact Mass347.12
IUPAC Name5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1c(C)c(O)cc(F)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19F2NOS/c1-5-19(3,4)17-10(2)14(23)9-12(21)16(17)18-22-13-7-6-11(20)8-15(13)24-18/h6-9,23H,5H2,1-4H3
InChIKeyOYQSZDMLRVHUIA-UHFFFAOYSA-N
XLogP5.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol 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

5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol;2-methylprop-1-ene
CID 144565739
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
CID 114103523
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
CID 66202280
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol?
The IUPAC name of 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol (CID 144565740) is 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1c(C)c(O)cc(F)c1-c1nc2ccc(F)cc2s1.
What is the InChIKey of 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol?
The InChIKey is OYQSZDMLRVHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NOS/c1-5-19(3,4)17-10(2)14(23)9-12(21)16(17)18-22-13-7-6-11(20)8-15(13)24-18/h6-9,23H,5H2,1-4H3.
What are the key properties of 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol?
5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol has a molecular weight of 347.43 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-3-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 144565740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).