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

C12H13N3O2S — CID 3155166

IUPAC2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C12H13N3O2S/c1-2-10(17-9-6-4-3-5-7-9)11(16)14-12-15-13-8-18-12/h3-8,10H,2H2,1H3,(H,14,15,16)
InChIKeyQZTHIFHGMDJORR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds5

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

2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3155166) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3155166
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C12H13N3O2S/c1-2-10(17-9-6-4-3-5-7-9)11(16)14-12-15-13-8-18-12/h3-8,10H,2H2,1H3,(H,14,15,16)
InChIKeyQZTHIFHGMDJORR-UHFFFAOYSA-N
XLogP2.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
3-(2-phenoxybutanoylamino)thiophene-2-carboxylic acid
CID 43358002
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
CID 2948076

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 3155166) is 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1nncs1.
What is the InChIKey of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QZTHIFHGMDJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-10(17-9-6-4-3-5-7-9)11(16)14-12-15-13-8-18-12/h3-8,10H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide?
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 263.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3155166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).