N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide

C10H9BrN4OS — CID 79512689

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide
SMILESNc1nnc(NC(=O)Cc2cccc(Br)c2)s1
InChIInChI=1S/C10H9BrN4OS/c11-7-3-1-2-6(4-7)5-8(16)13-10-15-14-9(12)17-10/h1-4H,5H2,(H2,12,14)(H,13,15,16)
InChIKeyCBDWOPHVJTZROQ-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.06
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide (PubChem CID 79512689) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide
PubChem CID79512689
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide
SMILESNc1nnc(NC(=O)Cc2cccc(Br)c2)s1
InChIInChI=1S/C10H9BrN4OS/c11-7-3-1-2-6(4-7)5-8(16)13-10-15-14-9(12)17-10/h1-4H,5H2,(H2,12,14)(H,13,15,16)
InChIKeyCBDWOPHVJTZROQ-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-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

2-(3-bromophenyl)acetamide
CID 11736027
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-[5-[(1S,3S)-3-[5-[[2-[2-(3-bromophenyl)acetyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 144630905
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
2-(3-bromophenyl)acetate
CID 3608673
N-(2-amino-5-methoxyphenyl)-2-(3-bromophenyl)acetamide
CID 63257871
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide (CID 79512689) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide is Nc1nnc(NC(=O)Cc2cccc(Br)c2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide?
The InChIKey is CBDWOPHVJTZROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-7-3-1-2-6(4-7)5-8(16)13-10-15-14-9(12)17-10/h1-4H,5H2,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide has a molecular weight of 313.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 79512689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).