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

C15H11FN2O3S — CID 56929346

IUPAC4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3
InChIKeyVNFKNZZMHWECIY-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.12
Rot. Bonds2

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

4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide (PubChem CID 56929346) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide
PubChem CID56929346
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3
InChIKeyVNFKNZZMHWECIY-UHFFFAOYSA-N
XLogP3.12
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide (CID 56929346) is 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide is CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide?
The InChIKey is VNFKNZZMHWECIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3.
What are the key properties of 4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide?
4-fluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-N-methylbenzamide has a molecular weight of 318.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 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)-N-methylbenzamide is sourced from PubChem (CID 56929346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).