2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C9H7N3O2S — CID 682514

IUPAC2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1O
InChIInChI=1S/C9H7N3O2S/c13-7-4-2-1-3-6(7)8(14)11-9-12-10-5-15-9/h1-5,13H,(H,11,12,14)
InChIKeyKZUHYSRWKTWZBK-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.50
Rot. Bonds2

About 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide

2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 682514) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID682514
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1O
InChIInChI=1S/C9H7N3O2S/c13-7-4-2-1-3-6(7)8(14)11-9-12-10-5-15-9/h1-5,13H,(H,11,12,14)
InChIKeyKZUHYSRWKTWZBK-UHFFFAOYSA-N
XLogP1.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 646611
2-Hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 578064
2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 70683312
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70683314
2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 811323
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
[2-(1,3,4-Thiadiazol-2-ylcarbamoyl)phenyl] acetate
CID 5182385
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
CID 578036
3-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 28389931
2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3440334
4-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962770

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 682514) is 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KZUHYSRWKTWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-7-4-2-1-3-6(7)8(14)11-9-12-10-5-15-9/h1-5,13H,(H,11,12,14).
What are the key properties of 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 221.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 682514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).