N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide

C14H9FN2O2S — CID 118657800

IUPACN-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1O)c1nc2ccccc2s1
InChIInChI=1S/C14H9FN2O2S/c15-8-5-6-11(18)10(7-8)16-13(19)14-17-9-3-1-2-4-12(9)20-14/h1-7,18H,(H,16,19)
InChIKeyQPDMKHLINALPEI-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.39
Rot. Bonds2

About N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide

N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 118657800) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID118657800
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1O)c1nc2ccccc2s1
InChIInChI=1S/C14H9FN2O2S/c15-8-5-6-11(18)10(7-8)16-13(19)14-17-9-3-1-2-4-12(9)20-14/h1-7,18H,(H,16,19)
InChIKeyQPDMKHLINALPEI-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
CID 117074219
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
2-(1,3-benzothiazole-2-carbonylamino)-4-(2-phenylethyl)benzoic acid
CID 67342631
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 107692404

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide (CID 118657800) is N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1cc(F)ccc1O)c1nc2ccccc2s1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is QPDMKHLINALPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-8-5-6-11(18)10(7-8)16-13(19)14-17-9-3-1-2-4-12(9)20-14/h1-7,18H,(H,16,19).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide?
N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 118657800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).