4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide

C13H14ClN3O2S — CID 100747676

IUPAC4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1snnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-19-8-2-7-15-13(18)12-11(16-17-20-12)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyMWHHQARVABVMBJ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.62
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide

4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide (PubChem CID 100747676) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
PubChem CID100747676
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1snnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-19-8-2-7-15-13(18)12-11(16-17-20-12)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyMWHHQARVABVMBJ-UHFFFAOYSA-N
XLogP2.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-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

4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
CID 71689865
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide (CID 100747676) is 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide is COCCCNC(=O)c1snnc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The InChIKey is MWHHQARVABVMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-19-8-2-7-15-13(18)12-11(16-17-20-12)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18).
What are the key properties of 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).