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

C11H8ClN3O2S — CID 3338737

IUPACN-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2snnc2Cl)cc1
InChIInChI=1S/C11H8ClN3O2S/c1-6(16)7-2-4-8(5-3-7)13-11(17)9-10(12)14-15-18-9/h2-5H,1H3,(H,13,17)
InChIKeyHSRZAJDZERGCQT-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.65
Rot. Bonds3

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

N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide (PubChem CID 3338737) has the molecular formula C11H8ClN3O2S and a molecular weight of 281.72 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
PubChem CID3338737
Molecular FormulaC11H8ClN3O2S
Molecular Weight281.72 g/mol
Exact Mass281.00
IUPAC NameN-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2snnc2Cl)cc1
InChIInChI=1S/C11H8ClN3O2S/c1-6(16)7-2-4-8(5-3-7)13-11(17)9-10(12)14-15-18-9/h2-5H,1H3,(H,13,17)
InChIKeyHSRZAJDZERGCQT-UHFFFAOYSA-N
XLogP2.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)thiadiazole-5-carboxamide
CID 47259424
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135457087

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide (CID 3338737) is N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2snnc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide?
The InChIKey is HSRZAJDZERGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S/c1-6(16)7-2-4-8(5-3-7)13-11(17)9-10(12)14-15-18-9/h2-5H,1H3,(H,13,17).
What are the key properties of N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide?
N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide has a molecular weight of 281.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide is sourced from PubChem (CID 3338737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).