4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide

C19H25N3O2S — CID 3977966

IUPAC4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-5-16(23)20-18-22-21-17(25-18)13-6-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,20,22,23)
InChIKeyWDKNCMWMAXSOSY-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.51
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3977966) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3977966
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-5-16(23)20-18-22-21-17(25-18)13-6-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,20,22,23)
InChIKeyWDKNCMWMAXSOSY-UHFFFAOYSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide (CID 3977966) is 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is WDKNCMWMAXSOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-5-16(23)20-18-22-21-17(25-18)13-6-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,20,22,23).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 359.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3977966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).