N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide

C15H10FN3O2S — CID 70683314

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1O
InChIInChI=1S/C15H10FN3O2S/c16-10-7-5-9(6-8-10)14-18-19-15(22-14)17-13(21)11-3-1-2-4-12(11)20/h1-8,20H,(H,17,19,21)
InChIKeyMBIRKDJGALGPIH-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.30
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (PubChem CID 70683314) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
PubChem CID70683314
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1O
InChIInChI=1S/C15H10FN3O2S/c16-10-7-5-9(6-8-10)14-18-19-15(22-14)17-13(21)11-3-1-2-4-12(11)20/h1-8,20H,(H,17,19,21)
InChIKeyMBIRKDJGALGPIH-UHFFFAOYSA-N
XLogP3.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (CID 70683314) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1O.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The InChIKey is MBIRKDJGALGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c16-10-7-5-9(6-8-10)14-18-19-15(22-14)17-13(21)11-3-1-2-4-12(11)20/h1-8,20H,(H,17,19,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide has a molecular weight of 315.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 70683314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).