(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C9H11BrN2O2S — CID 164656691

IUPAC(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2nscc2Br)C1
InChIInChI=1S/C9H11BrN2O2S/c1-2-9(14)4-12(5-9)8(13)7-6(10)3-15-11-7/h3,14H,2,4-5H2,1H3
InChIKeyMFNJHXWBCPBFFR-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.50
Rot. Bonds2

About (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 164656691) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID164656691
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2nscc2Br)C1
InChIInChI=1S/C9H11BrN2O2S/c1-2-9(14)4-12(5-9)8(13)7-6(10)3-15-11-7/h3,14H,2,4-5H2,1H3
InChIKeyMFNJHXWBCPBFFR-UHFFFAOYSA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone 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-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 164656691) is (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2nscc2Br)C1.
What is the InChIKey of (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is MFNJHXWBCPBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-2-9(14)4-12(5-9)8(13)7-6(10)3-15-11-7/h3,14H,2,4-5H2,1H3.
What are the key properties of (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 291.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,2-thiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 164656691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).