N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C17H13BrN2OS — CID 2305927

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c18-14-8-6-13(7-9-14)15-11-22-17(19-15)20-16(21)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyIJLUARLBXWDKER-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.75
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 2305927) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID2305927
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c18-14-8-6-13(7-9-14)15-11-22-17(19-15)20-16(21)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyIJLUARLBXWDKER-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide 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-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 2305927) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is IJLUARLBXWDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-14-8-6-13(7-9-14)15-11-22-17(19-15)20-16(21)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 373.28 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 2305927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).