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

C15H18FN3O2S2 — CID 133184799

IUPAC2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C15H18FN3O2S2/c1-4-11(21-12-8-6-5-7-10(12)16)13(20)17-14-18-19-15(23-14)22-9(2)3/h5-9,11H,4H2,1-3H3,(H,17,18,20)
InChIKeyQRUZTCPQVDDUET-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.97
Rot. Bonds7

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

2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 133184799) has the molecular formula C15H18FN3O2S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID133184799
Molecular FormulaC15H18FN3O2S2
Molecular Weight355.46 g/mol
Exact Mass355.08
IUPAC Name2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C15H18FN3O2S2/c1-4-11(21-12-8-6-5-7-10(12)16)13(20)17-14-18-19-15(23-14)22-9(2)3/h5-9,11H,4H2,1-3H3,(H,17,18,20)
InChIKeyQRUZTCPQVDDUET-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 44791669
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133199985
2-(2-fluorophenoxy)-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 18864456
2-(4-methoxyphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133163990
2-(2-chlorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133160961
(2R)-2-(2,3-dimethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100764945
2-(2-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3323136
2-(4-fluorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133184293
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxybutanamide
CID 133235269
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide (CID 133184799) is 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1nnc(SC(C)C)s1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QRUZTCPQVDDUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S2/c1-4-11(21-12-8-6-5-7-10(12)16)13(20)17-14-18-19-15(23-14)22-9(2)3/h5-9,11H,4H2,1-3H3,(H,17,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 355.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 133184799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).