N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C12H8BrN3O3S — CID 4302044

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ncc(Br)s1
InChIInChI=1S/C12H8BrN3O3S/c13-9-5-14-11(20-9)15-10(17)6-16-7-3-1-2-4-8(7)19-12(16)18/h1-5H,6H2,(H,14,15,17)
InChIKeySDEYDDGKOCEOES-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.45
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4302044) has the molecular formula C12H8BrN3O3S and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4302044
Molecular FormulaC12H8BrN3O3S
Molecular Weight354.19 g/mol
Exact Mass352.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ncc(Br)s1
InChIInChI=1S/C12H8BrN3O3S/c13-9-5-14-11(20-9)15-10(17)6-16-7-3-1-2-4-8(7)19-12(16)18/h1-5H,6H2,(H,14,15,17)
InChIKeySDEYDDGKOCEOES-UHFFFAOYSA-N
XLogP2.45
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)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-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4302044) is N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SDEYDDGKOCEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3S/c13-9-5-14-11(20-9)15-10(17)6-16-7-3-1-2-4-8(7)19-12(16)18/h1-5H,6H2,(H,14,15,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 354.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4302044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).