N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide

C11H9BrN4O2S — CID 4024091

IUPACN-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C(=O)c1nnc(N)s1
InChIInChI=1S/C11H9BrN4O2S/c1-5(17)14-8-3-2-6(12)4-7(8)9(18)10-15-16-11(13)19-10/h2-4H,1H3,(H2,13,16)(H,14,17)
InChIKeyFILXKENUDWXCIM-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.07
Rot. Bonds3

About N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide

N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide (PubChem CID 4024091) has the molecular formula C11H9BrN4O2S and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide
PubChem CID4024091
Molecular FormulaC11H9BrN4O2S
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C(=O)c1nnc(N)s1
InChIInChI=1S/C11H9BrN4O2S/c1-5(17)14-8-3-2-6(12)4-7(8)9(18)10-15-16-11(13)19-10/h2-4H,1H3,(H2,13,16)(H,14,17)
InChIKeyFILXKENUDWXCIM-UHFFFAOYSA-N
XLogP2.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]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

5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 103193605
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-(butanoylamino)benzamide
CID 12989236
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
(4-chlorophenyl)methyl 2-acetamido-5-bromobenzoate
CID 19591123
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
N-(4-bromo-2-carbamothioylphenyl)-2-methylpropanamide
CID 82703957
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide (CID 4024091) is N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide is CC(=O)Nc1ccc(Br)cc1C(=O)c1nnc(N)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide?
The InChIKey is FILXKENUDWXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S/c1-5(17)14-8-3-2-6(12)4-7(8)9(18)10-15-16-11(13)19-10/h2-4H,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide?
N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide has a molecular weight of 341.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazole-2-carbonyl)-4-bromophenyl]acetamide is sourced from PubChem (CID 4024091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).