N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide

C19H23BrN4O2S — CID 55881711

IUPACN-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCN(C(=O)Cc1csc(N2CCNC2=O)n1)C(C)c1ccccc1Br
InChIInChI=1S/C19H23BrN4O2S/c1-3-9-23(13(2)15-6-4-5-7-16(15)20)17(25)11-14-12-27-19(22-14)24-10-8-21-18(24)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,26)
InChIKeyZVELFJLYJXHEKE-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide

N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 55881711) has the molecular formula C19H23BrN4O2S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID55881711
Molecular FormulaC19H23BrN4O2S
Molecular Weight451.39 g/mol
Exact Mass450.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCN(C(=O)Cc1csc(N2CCNC2=O)n1)C(C)c1ccccc1Br
InChIInChI=1S/C19H23BrN4O2S/c1-3-9-23(13(2)15-6-4-5-7-16(15)20)17(25)11-14-12-27-19(22-14)24-10-8-21-18(24)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,26)
InChIKeyZVELFJLYJXHEKE-UHFFFAOYSA-N
XLogP3.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide 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 N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide (CID 55881711) is N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide is CCCN(C(=O)Cc1csc(N2CCNC2=O)n1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is ZVELFJLYJXHEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2S/c1-3-9-23(13(2)15-6-4-5-7-16(15)20)17(25)11-14-12-27-19(22-14)24-10-8-21-18(24)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,26).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide?
N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 451.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 55881711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).