N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide

C13H15BrN4OS — CID 133352514

IUPACN-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
SMILESCCc1nsc(N(C)CC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4OS/c1-3-11-16-13(20-17-11)18(2)8-12(19)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,19)
InChIKeyPMFWEKBORLHZGO-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.94
Rot. Bonds5

About N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide

N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide (PubChem CID 133352514) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
PubChem CID133352514
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC NameN-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
SMILESCCc1nsc(N(C)CC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4OS/c1-3-11-16-13(20-17-11)18(2)8-12(19)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,19)
InChIKeyPMFWEKBORLHZGO-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133467116
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide
CID 133352510
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 99806560
N-(2-bromophenyl)-2-[methyl-(5-nitropyrimidin-2-yl)amino]acetamide
CID 133467146
N-(2-bromophenyl)butanamide
CID 732405
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide (CID 133352514) is N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide is CCc1nsc(N(C)CC(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide?
The InChIKey is PMFWEKBORLHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-3-11-16-13(20-17-11)18(2)8-12(19)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,19).
What are the key properties of N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide?
N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide has a molecular weight of 355.26 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide is sourced from PubChem (CID 133352514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).