3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol

C14H11FN2OS — CID 135610914

IUPAC3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol
SMILESCNc1ccc2nc(-c3ccc(O)cc3F)sc2c1
InChIInChI=1S/C14H11FN2OS/c1-16-8-2-5-12-13(6-8)19-14(17-12)10-4-3-9(18)7-11(10)15/h2-7,16,18H,1H3
InChIKeySSHWAWJKKZZELW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.85
Rot. Bonds2

About 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol

3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol (PubChem CID 135610914) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol
PubChem CID135610914
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol
SMILESCNc1ccc2nc(-c3ccc(O)cc3F)sc2c1
InChIInChI=1S/C14H11FN2OS/c1-16-8-2-5-12-13(6-8)19-14(17-12)10-4-3-9(18)7-11(10)15/h2-7,16,18H,1H3
InChIKeySSHWAWJKKZZELW-UHFFFAOYSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889731
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
4-(6-bromo-1,3-benzothiazol-2-yl)-3-fluoroaniline
CID 107795255
4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
CID 136750939
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
2-[3-[fluoro(methyl)boranyl]-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
CID 143210507

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol?
The IUPAC name of 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol (CID 135610914) is 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol?
The canonical SMILES for 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol is CNc1ccc2nc(-c3ccc(O)cc3F)sc2c1.
What is the InChIKey of 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol?
The InChIKey is SSHWAWJKKZZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-16-8-2-5-12-13(6-8)19-14(17-12)10-4-3-9(18)7-11(10)15/h2-7,16,18H,1H3.
What are the key properties of 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol?
3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol has a molecular weight of 274.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol is sourced from PubChem (CID 135610914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).