N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide

C11H11N3O2S — CID 578036

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C11H11N3O2S/c1-2-9-13-14-11(17-9)12-10(16)7-5-3-4-6-8(7)15/h3-6,15H,2H2,1H3,(H,12,14,16)
InChIKeyKSNRPWQFQKOBNN-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.06
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide (PubChem CID 578036) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
PubChem CID578036
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C11H11N3O2S/c1-2-9-13-14-11(17-9)12-10(16)7-5-3-4-6-8(7)15/h3-6,15H,2H2,1H3,(H,12,14,16)
InChIKeyKSNRPWQFQKOBNN-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.06
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
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
Fak-IN-8
CID 60150400
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
Ethyl (5-{[(2-ethoxyphenyl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
CID 2164999
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3165868
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3999252
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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide (CID 578036) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide is CCc1nnc(NC(=O)c2ccccc2O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is KSNRPWQFQKOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-9-13-14-11(17-9)12-10(16)7-5-3-4-6-8(7)15/h3-6,15H,2H2,1H3,(H,12,14,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 249.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 578036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).