2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

C16H20N2O3S2 — CID 73168899

IUPAC2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(Oc3nccs3)C2)c1C
InChIInChI=1S/C16H20N2O3S2/c1-10-7-11(2)13(4)15(12(10)3)23(19,20)18-8-14(9-18)21-16-17-5-6-22-16/h5-7,14H,8-9H2,1-4H3
InChIKeyREQKJBVVXSDHDN-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (PubChem CID 73168899) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
PubChem CID73168899
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(Oc3nccs3)C2)c1C
InChIInChI=1S/C16H20N2O3S2/c1-10-7-11(2)13(4)15(12(10)3)23(19,20)18-8-14(9-18)21-16-17-5-6-22-16/h5-7,14H,8-9H2,1-4H3
InChIKeyREQKJBVVXSDHDN-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627713
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90627450
2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
CID 170950687
1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (CID 73168899) is 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is Cc1cc(C)c(C)c(S(=O)(=O)N2CC(Oc3nccs3)C2)c1C.
What is the InChIKey of 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is REQKJBVVXSDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-10-7-11(2)13(4)15(12(10)3)23(19,20)18-8-14(9-18)21-16-17-5-6-22-16/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 352.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 73168899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).