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

C14H8F2N2O3S — CID 56929159

IUPAC2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)
InChIKeyWAIPUKHVRXNDDF-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.24
Rot. Bonds2

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

2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 56929159) has the molecular formula C14H8F2N2O3S and a molecular weight of 322.29 g/mol. Its IUPAC name is 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID56929159
Molecular FormulaC14H8F2N2O3S
Molecular Weight322.29 g/mol
Exact Mass322.02
IUPAC Name2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)
InChIKeyWAIPUKHVRXNDDF-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-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 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide (CID 56929159) is 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(O)cc2s1)c1c(F)ccc(O)c1F.
What is the InChIKey of 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WAIPUKHVRXNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21).
What are the key properties of 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide?
2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 322.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 56929159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).