4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

C18H16FN3O2S — CID 55939279

IUPAC4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H16FN3O2S/c19-14-8-4-9-15(12-14)24-11-5-10-16(23)20-18-22-21-17(25-18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,20,22,23)
InChIKeyQDFIKVMLLPKECX-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.14
Rot. Bonds7

About 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 55939279) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID55939279
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H16FN3O2S/c19-14-8-4-9-15(12-14)24-11-5-10-16(23)20-18-22-21-17(25-18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,20,22,23)
InChIKeyQDFIKVMLLPKECX-UHFFFAOYSA-N
XLogP4.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 16549548
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 52714970
4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100532455
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
N-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-(3-fluorophenoxy)propanamide
CID 92576232
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 55939279) is 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is O=C(CCCOc1cccc(F)c1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QDFIKVMLLPKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-14-8-4-9-15(12-14)24-11-5-10-16(23)20-18-22-21-17(25-18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,20,22,23).
What are the key properties of 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 357.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 55939279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).