4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide

C15H19N3OS — CID 24563625

IUPAC4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-2-13-14(20-18-17-13)15(19)16-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyKMIYKVUKCQMBPI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.85
Rot. Bonds7

About 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide

4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide (PubChem CID 24563625) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
PubChem CID24563625
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-2-13-14(20-18-17-13)15(19)16-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyKMIYKVUKCQMBPI-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
CID 30768888
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide (CID 24563625) is 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide?
The InChIKey is KMIYKVUKCQMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-13-14(20-18-17-13)15(19)16-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,19).
What are the key properties of 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide?
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 24563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).