N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

C16H19N3O2S — CID 4800328

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H19N3O2S/c1-10(2)12-5-3-4-6-13(12)21-9-14(20)17-16-19-18-15(22-16)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,17,19,20)
InChIKeyNUGNPUWRNKLSAL-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.56
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 4800328) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID4800328
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H19N3O2S/c1-10(2)12-5-3-4-6-13(12)21-9-14(20)17-16-19-18-15(22-16)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,17,19,20)
InChIKeyNUGNPUWRNKLSAL-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide 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 N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 4800328) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is NUGNPUWRNKLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)12-5-3-4-6-13(12)21-9-14(20)17-16-19-18-15(22-16)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4800328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).