3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one

C15H14Cl2N2O2S — CID 90627528

IUPAC3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-3-1-10(7-13(12)17)2-4-14(20)19-8-11(9-19)21-15-18-5-6-22-15/h1,3,5-7,11H,2,4,8-9H2
InChIKeyYEMXRLJXQAZTMT-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.67
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one

3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one (PubChem CID 90627528) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
PubChem CID90627528
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-3-1-10(7-13(12)17)2-4-14(20)19-8-11(9-19)21-15-18-5-6-22-15/h1,3,5-7,11H,2,4,8-9H2
InChIKeyYEMXRLJXQAZTMT-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one 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-(4-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627523
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627522
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150439
3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627445
2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627458
cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150437
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90627589
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2-(benzotriazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627642

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one (CID 90627528) is 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one is O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(Oc2nccs2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The InChIKey is YEMXRLJXQAZTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c16-12-3-1-10(7-13(12)17)2-4-14(20)19-8-11(9-19)21-15-18-5-6-22-15/h1,3,5-7,11H,2,4,8-9H2.
What are the key properties of 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one has a molecular weight of 357.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 90627528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).