2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

C12H11ClN2O3S2 — CID 90627754

IUPAC2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C12H11ClN2O3S2/c13-9-1-3-11(4-2-9)20(16,17)15-7-10(8-15)18-12-14-5-6-19-12/h1-6,10H,7-8H2
InChIKeyXPGWBIFSZVJTEY-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (PubChem CID 90627754) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
PubChem CID90627754
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C12H11ClN2O3S2/c13-9-1-3-11(4-2-9)20(16,17)15-7-10(8-15)18-12-14-5-6-19-12/h1-6,10H,7-8H2
InChIKeyXPGWBIFSZVJTEY-UHFFFAOYSA-N
XLogP2.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627713
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (CID 90627754) is 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is O=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is XPGWBIFSZVJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c13-9-1-3-11(4-2-9)20(16,17)15-7-10(8-15)18-12-14-5-6-19-12/h1-6,10H,7-8H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 330.82 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90627754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).