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

C15H19N3O2S — CID 2243984

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-9(2)13-6-5-12(7-10(13)3)20-8-14(19)16-15-18-17-11(4)21-15/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyFJGZTXVTQXMWSP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.30
Rot. Bonds5

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

2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2243984) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2243984
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-9(2)13-6-5-12(7-10(13)3)20-8-14(19)16-15-18-17-11(4)21-15/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyFJGZTXVTQXMWSP-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)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 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2243984) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FJGZTXVTQXMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)13-6-5-12(7-10(13)3)20-8-14(19)16-15-18-17-11(4)21-15/h5-7,9H,8H2,1-4H3,(H,16,18,19).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).