(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C13H10BrClN2O2S — CID 90627581

IUPAC(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H10BrClN2O2S/c14-8-1-2-11(15)10(5-8)12(18)17-6-9(7-17)19-13-16-3-4-20-13/h1-5,9H,6-7H2
InChIKeyDXZITCKQSQNTAY-UHFFFAOYSA-N
MW373.66 g/mol
LogP3.46
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 90627581) has the molecular formula C13H10BrClN2O2S and a molecular weight of 373.66 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID90627581
Molecular FormulaC13H10BrClN2O2S
Molecular Weight373.66 g/mol
Exact Mass371.93
IUPAC Name(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H10BrClN2O2S/c14-8-1-2-11(15)10(5-8)12(18)17-6-9(7-17)19-13-16-3-4-20-13/h1-5,9H,6-7H2
InChIKeyDXZITCKQSQNTAY-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-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

Related Compounds

3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627528
3-(4-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627523
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627573
[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90627450
(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257281
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250314
cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
N-phenyl-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627669
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627522

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 90627581) is (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is O=C(c1cc(Br)ccc1Cl)N1CC(Oc2nccs2)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is DXZITCKQSQNTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2S/c14-8-1-2-11(15)10(5-8)12(18)17-6-9(7-17)19-13-16-3-4-20-13/h1-5,9H,6-7H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 373.66 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 90627581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).