2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C11H10BrN3OS — CID 739604

IUPAC2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyGLBCNYGYYNVTAO-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.12
Rot. Bonds3

About 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 739604) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID739604
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyGLBCNYGYYNVTAO-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide 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-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 739604) is 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GLBCNYGYYNVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H,13,15,16).
What are the key properties of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 312.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 739604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).