N-(4-acetylphenyl)thiadiazole-5-carboxamide

C11H9N3O2S — CID 47259424

IUPACN-(4-acetylphenyl)thiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnns2)cc1
InChIInChI=1S/C11H9N3O2S/c1-7(15)8-2-4-9(5-3-8)13-11(16)10-6-12-14-17-10/h2-6H,1H3,(H,13,16)
InChIKeyLWEMACRTDDILLR-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.99
Rot. Bonds3

About N-(4-acetylphenyl)thiadiazole-5-carboxamide

N-(4-acetylphenyl)thiadiazole-5-carboxamide (PubChem CID 47259424) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(4-acetylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)thiadiazole-5-carboxamide
PubChem CID47259424
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-(4-acetylphenyl)thiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnns2)cc1
InChIInChI=1S/C11H9N3O2S/c1-7(15)8-2-4-9(5-3-8)13-11(16)10-6-12-14-17-10/h2-6H,1H3,(H,13,16)
InChIKeyLWEMACRTDDILLR-UHFFFAOYSA-N
XLogP1.99
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216096
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
CID 104938594
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
CID 3338737
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-acetylphenyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60522510
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)thiadiazole-5-carboxamide (CID 47259424) is N-(4-acetylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)thiadiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnns2)cc1.
What is the InChIKey of N-(4-acetylphenyl)thiadiazole-5-carboxamide?
The InChIKey is LWEMACRTDDILLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7(15)8-2-4-9(5-3-8)13-11(16)10-6-12-14-17-10/h2-6H,1H3,(H,13,16).
What are the key properties of N-(4-acetylphenyl)thiadiazole-5-carboxamide?
N-(4-acetylphenyl)thiadiazole-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47259424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).