2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole

C16H14N2O3S2 — CID 90627732

IUPAC2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H14N2O3S2/c19-23(20,15-7-3-5-12-4-1-2-6-14(12)15)18-10-13(11-18)21-16-17-8-9-22-16/h1-9,13H,10-11H2
InChIKeyWLFWYJHZXMQFPE-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.75
Rot. Bonds4

About 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole

2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole (PubChem CID 90627732) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
PubChem CID90627732
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H14N2O3S2/c19-23(20,15-7-3-5-12-4-1-2-6-14(12)15)18-10-13(11-18)21-16-17-8-9-22-16/h1-9,13H,10-11H2
InChIKeyWLFWYJHZXMQFPE-UHFFFAOYSA-N
XLogP2.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627713
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252682
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150775
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole?
The IUPAC name of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole (CID 90627732) is 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole.
What is the SMILES notation for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole?
The canonical SMILES for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole is O=S(=O)(c1cccc2ccccc12)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole?
The InChIKey is WLFWYJHZXMQFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c19-23(20,15-7-3-5-12-4-1-2-6-14(12)15)18-10-13(11-18)21-16-17-8-9-22-16/h1-9,13H,10-11H2.
What are the key properties of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole?
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole has a molecular weight of 346.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole is sourced from PubChem (CID 90627732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).