N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide

C25H21BrN2OS — CID 19226363

IUPACN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C25H21BrN2OS/c1-2-21-23(19-13-15-20(26)16-14-19)27-25(30-21)28-24(29)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,2H2,1H3,(H,27,28,29)
InChIKeyUSHQQKSTDGPOKO-UHFFFAOYSA-N
MW477.43 g/mol
LogP6.91
Rot. Bonds6

About N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 19226363) has the molecular formula C25H21BrN2OS and a molecular weight of 477.43 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
PubChem CID19226363
Molecular FormulaC25H21BrN2OS
Molecular Weight477.43 g/mol
Exact Mass476.06
IUPAC NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C25H21BrN2OS/c1-2-21-23(19-13-15-20(26)16-14-19)27-25(30-21)28-24(29)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,2H2,1H3,(H,27,28,29)
InChIKeyUSHQQKSTDGPOKO-UHFFFAOYSA-N
XLogP6.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide 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-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19228364
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-phenyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19241686
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229213
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 19227971
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 19227728
(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide
CID 19228648

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide (CID 19226363) is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide is CCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is USHQQKSTDGPOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2OS/c1-2-21-23(19-13-15-20(26)16-14-19)27-25(30-21)28-24(29)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,2H2,1H3,(H,27,28,29).
What are the key properties of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 477.43 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 19226363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).