2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide

C14H9FN2O3S — CID 56929252

IUPAC2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cc(O)ccc1F
InChIInChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
InChIKeyUFBYJINGGRNSFO-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.10
Rot. Bonds2

About 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide

2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 56929252) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID56929252
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Name2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cc(O)ccc1F
InChIInChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
InChIKeyUFBYJINGGRNSFO-UHFFFAOYSA-N
XLogP3.10
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (CID 56929252) is 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(O)cc2s1)c1cc(O)ccc1F.
What is the InChIKey of 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UFBYJINGGRNSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20).
What are the key properties of 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 56929252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).