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

C13H13FN2O3S2 — CID 90627713

IUPAC2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H13FN2O3S2/c1-9-6-10(14)2-3-12(9)21(17,18)16-7-11(8-16)19-13-15-4-5-20-13/h2-6,11H,7-8H2,1H3
InChIKeyDWCRPKCSGOYDNF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.04
Rot. Bonds4

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

2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (PubChem CID 90627713) has the molecular formula C13H13FN2O3S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
PubChem CID90627713
Molecular FormulaC13H13FN2O3S2
Molecular Weight328.39 g/mol
Exact Mass328.04
IUPAC Name2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H13FN2O3S2/c1-9-6-10(14)2-3-12(9)21(17,18)16-7-11(8-16)19-13-15-4-5-20-13/h2-6,11H,7-8H2,1H3
InChIKeyDWCRPKCSGOYDNF-UHFFFAOYSA-N
XLogP2.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole 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

2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
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
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
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-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (CID 90627713) is 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is Cc1cc(F)ccc1S(=O)(=O)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is DWCRPKCSGOYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S2/c1-9-6-10(14)2-3-12(9)21(17,18)16-7-11(8-16)19-13-15-4-5-20-13/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 328.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90627713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).