2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C15H11N3O2S — CID 1121149

IUPAC2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1O
InChIInChI=1S/C15H11N3O2S/c19-12-9-5-4-8-11(12)13(20)16-15-18-17-14(21-15)10-6-2-1-3-7-10/h1-9,19H,(H,16,18,20)
InChIKeyOOQQYSZSLAIKLR-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.16
Rot. Bonds3

About 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1121149) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1121149
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1O
InChIInChI=1S/C15H11N3O2S/c19-12-9-5-4-8-11(12)13(20)16-15-18-17-14(21-15)10-6-2-1-3-7-10/h1-9,19H,(H,16,18,20)
InChIKeyOOQQYSZSLAIKLR-UHFFFAOYSA-N
XLogP3.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-[5-(4-Hydroxy-benzylidene-hydrazinocarbonylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 135571969
Fak-IN-8
CID 60150400
2-{[5-(4-Hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoic acid
CID 155925512
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3165868
2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3525081
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3999252
N-[5-(3-Hydroxy-benzylidene-hydrazinocarbonylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 5753394
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70685420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1121149) is 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OOQQYSZSLAIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-12-9-5-4-8-11(12)13(20)16-15-18-17-14(21-15)10-6-2-1-3-7-10/h1-9,19H,(H,16,18,20).
What are the key properties of 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 297.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1121149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).