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

C18H17N3O2S — CID 33004637

IUPAC4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c22-16(12-7-13-23-15-10-5-2-6-11-15)19-18-21-20-17(24-18)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2,(H,19,21,22)
InChIKeyJAGTWRNHPMKWSB-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.00
Rot. Bonds7

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

4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 33004637) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID33004637
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c22-16(12-7-13-23-15-10-5-2-6-11-15)19-18-21-20-17(24-18)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2,(H,19,21,22)
InChIKeyJAGTWRNHPMKWSB-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.00
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-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55939279
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
4-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8697412
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 33004637) is 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is O=C(CCCOc1ccccc1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is JAGTWRNHPMKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(12-7-13-23-15-10-5-2-6-11-15)19-18-21-20-17(24-18)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2,(H,19,21,22).
What are the key properties of 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 339.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 33004637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).