2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C15H18BrN3O3S — CID 16563035

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2nnc(C)s2)cc1OCC
InChIInChI=1S/C15H18BrN3O3S/c1-4-21-12-6-10(11(16)8-13(12)22-5-2)7-14(20)17-15-19-18-9(3)23-15/h6,8H,4-5,7H2,1-3H3,(H,17,19,20)
InChIKeyOAYDVPBQEJEQOG-UHFFFAOYSA-N
MW400.30 g/mol
LogP3.59
Rot. Bonds7

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 16563035) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID16563035
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2nnc(C)s2)cc1OCC
InChIInChI=1S/C15H18BrN3O3S/c1-4-21-12-6-10(11(16)8-13(12)22-5-2)7-14(20)17-15-19-18-9(3)23-15/h6,8H,4-5,7H2,1-3H3,(H,17,19,20)
InChIKeyOAYDVPBQEJEQOG-UHFFFAOYSA-N
XLogP3.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-bromo-4,5-diethoxyphenyl)-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

Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9192636
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
2-(5-ethoxy-2-pyridinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 144630841
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(2-bromo-4,5-dimethoxyphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18198012
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120828755
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 41276979
2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 16575362

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 16563035) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2nnc(C)s2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OAYDVPBQEJEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c1-4-21-12-6-10(11(16)8-13(12)22-5-2)7-14(20)17-15-19-18-9(3)23-15/h6,8H,4-5,7H2,1-3H3,(H,17,19,20).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 400.30 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 16563035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).