N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide

C16H17N3OS — CID 16561820

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c20-14(10-12-8-4-5-9-12)17-16-19-18-15(21-16)11-13-6-2-1-3-7-13/h1-4,6-8,12H,5,9-11H2,(H,17,19,20)
InChIKeyLVRVIOGEVAPRDU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.42
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 16561820) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID16561820
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c20-14(10-12-8-4-5-9-12)17-16-19-18-15(21-16)11-13-6-2-1-3-7-13/h1-4,6-8,12H,5,9-11H2,(H,17,19,20)
InChIKeyLVRVIOGEVAPRDU-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51202223
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
CID 46820966
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8697010
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
CID 68739431

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide (CID 16561820) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is LVRVIOGEVAPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-14(10-12-8-4-5-9-12)17-16-19-18-15(21-16)11-13-6-2-1-3-7-13/h1-4,6-8,12H,5,9-11H2,(H,17,19,20).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 299.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 16561820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).