N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide

C16H14BrN5OS — CID 133467116

IUPACN-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H14BrN5OS/c1-22(10-14(23)19-12-7-3-2-6-11(12)17)16-21-20-15(24-16)13-8-4-5-9-18-13/h2-9H,10H2,1H3,(H,19,23)
InChIKeyJWZJAQPXTQFQOT-UHFFFAOYSA-N
MW404.29 g/mol
LogP3.44
Rot. Bonds5

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

N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide (PubChem CID 133467116) has the molecular formula C16H14BrN5OS and a molecular weight of 404.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
PubChem CID133467116
Molecular FormulaC16H14BrN5OS
Molecular Weight404.29 g/mol
Exact Mass403.01
IUPAC NameN-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H14BrN5OS/c1-22(10-14(23)19-12-7-3-2-6-11(12)17)16-21-20-15(24-16)13-8-4-5-9-18-13/h2-9H,10H2,1H3,(H,19,23)
InChIKeyJWZJAQPXTQFQOT-UHFFFAOYSA-N
XLogP3.44
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]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

N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
CID 133352514
N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467109
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-methoxy-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 647177
6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide
CID 133352510
N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-bromophenyl)-2-[methyl-(5-nitropyrimidin-2-yl)amino]acetamide
CID 133467146
N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 99806560
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
N-[(2,3-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467107
3-(1,3-benzothiazol-2-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 76856979

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide (CID 133467116) is N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide is CN(CC(=O)Nc1ccccc1Br)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The InChIKey is JWZJAQPXTQFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5OS/c1-22(10-14(23)19-12-7-3-2-6-11(12)17)16-21-20-15(24-16)13-8-4-5-9-18-13/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide has a molecular weight of 404.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide is sourced from PubChem (CID 133467116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).