N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

C19H17BrN2O2S — CID 1113615

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H17BrN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyJTDJLNUBRJYKLR-UHFFFAOYSA-N
MW417.33 g/mol
LogP4.82
Rot. Bonds6

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 1113615) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID1113615
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H17BrN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyJTDJLNUBRJYKLR-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide 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-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (CID 1113615) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is JTDJLNUBRJYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-13-4-2-3-5-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-8-15(20)9-7-14/h2-9,11H,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 417.33 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1113615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).