4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one

C9H12BrN3OS — CID 79400290

IUPAC4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc(Br)cs1
InChIInChI=1S/C9H12BrN3OS/c1-9(2)7(14)11-3-4-13(9)8-12-6(10)5-15-8/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyWNPODVLMJWKVIC-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.62
Rot. Bonds1

About 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one

4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 79400290) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID79400290
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc(Br)cs1
InChIInChI=1S/C9H12BrN3OS/c1-9(2)7(14)11-3-4-13(9)8-12-6(10)5-15-8/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyWNPODVLMJWKVIC-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-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 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one (CID 79400290) is 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nc(Br)cs1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is WNPODVLMJWKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c1-9(2)7(14)11-3-4-13(9)8-12-6(10)5-15-8/h5H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one?
4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 290.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 79400290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).