4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride

C13H10ClFN2OS — CID 142733952

IUPAC4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(Nc2nc3ccccc3s2)cc1F
InChIInChI=1S/C13H9FN2OS.ClH/c14-9-7-8(5-6-11(9)17)15-13-16-10-3-1-2-4-12(10)18-13;/h1-7,17H,(H,15,16);1H
InChIKeyKWOZJNMHYGVXBF-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.31
Rot. Bonds2

About 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride

4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride (PubChem CID 142733952) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
PubChem CID142733952
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(Nc2nc3ccccc3s2)cc1F
InChIInChI=1S/C13H9FN2OS.ClH/c14-9-7-8(5-6-11(9)17)15-13-16-10-3-1-2-4-12(10)18-13;/h1-7,17H,(H,15,16);1H
InChIKeyKWOZJNMHYGVXBF-UHFFFAOYSA-N
XLogP4.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
4-(1,3-benzothiazol-2-ylamino)-3-fluorobenzenecarbothioamide
CID 43657843
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzothiazol-2-amine
CID 28832815
6-(1,3-benzothiazol-2-ylamino)chromen-2-one
CID 25023615
2-(1,3-benzothiazol-2-ylamino)-6-fluorobenzenecarbothioamide
CID 79513326
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride?
The IUPAC name of 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride (CID 142733952) is 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride is Cl.Oc1ccc(Nc2nc3ccccc3s2)cc1F.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride?
The InChIKey is KWOZJNMHYGVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS.ClH/c14-9-7-8(5-6-11(9)17)15-13-16-10-3-1-2-4-12(10)18-13;/h1-7,17H,(H,15,16);1H.
What are the key properties of 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride?
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride is sourced from PubChem (CID 142733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).