5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one

C10H5BrN2O2S — CID 116968071

IUPAC5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(-c3csc(Br)n3)ccc2o1
InChIInChI=1S/C10H5BrN2O2S/c11-9-12-7(4-16-9)5-1-2-8-6(3-5)13-10(14)15-8/h1-4H,(H,13,14)
InChIKeyVTLCPRKDNNPDAT-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.01
Rot. Bonds1

About 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one

5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116968071) has the molecular formula C10H5BrN2O2S and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116968071
Molecular FormulaC10H5BrN2O2S
Molecular Weight297.13 g/mol
Exact Mass295.93
IUPAC Name5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(-c3csc(Br)n3)ccc2o1
InChIInChI=1S/C10H5BrN2O2S/c11-9-12-7(4-16-9)5-1-2-8-6(3-5)13-10(14)15-8/h1-4H,(H,13,14)
InChIKeyVTLCPRKDNNPDAT-UHFFFAOYSA-N
XLogP3.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one 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 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one (CID 116968071) is 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(-c3csc(Br)n3)ccc2o1.
What is the InChIKey of 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is VTLCPRKDNNPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O2S/c11-9-12-7(4-16-9)5-1-2-8-6(3-5)13-10(14)15-8/h1-4H,(H,13,14).
What are the key properties of 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 297.13 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116968071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).