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

C14H9FN2O3S — CID 56929345

IUPAC4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1ccc(F)c(O)c1
InChIInChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)
InChIKeyIRWLRRFQPKSUGH-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.10
Rot. Bonds2

About 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide

4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 56929345) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID56929345
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Name4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1ccc(F)c(O)c1
InChIInChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)
InChIKeyIRWLRRFQPKSUGH-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

Analyze 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (CID 56929345) is 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(O)cc2s1)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IRWLRRFQPKSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20).
What are the key properties of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
4-fluoro-3-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 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 56929345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).