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

C17H13BrN2O2S — CID 1367005

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)10-22-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20,21)
InChIKeyXYQGPJXDRFPJAM-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.59
Rot. Bonds5

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 1367005) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
PubChem CID1367005
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)10-22-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20,21)
InChIKeyXYQGPJXDRFPJAM-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 1367005) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is XYQGPJXDRFPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)10-22-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 389.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 1367005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).