2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C15H18BrN3O2S — CID 54787321

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)s1
InChIInChI=1S/C15H18BrN3O2S/c1-5-12-18-19-15(22-12)17-14(20)10(4)21-13-8(2)6-11(16)7-9(13)3/h6-7,10H,5H2,1-4H3,(H,17,19,20)
InChIKeyURJWUIGZVOQOKA-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 54787321) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID54787321
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)s1
InChIInChI=1S/C15H18BrN3O2S/c1-5-12-18-19-15(22-12)17-14(20)10(4)21-13-8(2)6-11(16)7-9(13)3/h6-7,10H,5H2,1-4H3,(H,17,19,20)
InChIKeyURJWUIGZVOQOKA-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide 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

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19175891
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 40771211
2-(4-chloro-2-methylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2930951
2-(3-chlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2933213
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234
(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 51958424
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 54787300

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 54787321) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)s1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is URJWUIGZVOQOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-5-12-18-19-15(22-12)17-14(20)10(4)21-13-8(2)6-11(16)7-9(13)3/h6-7,10H,5H2,1-4H3,(H,17,19,20).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 384.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 54787321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).