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

C13H13ClN2O3S2 — CID 90627728

IUPAC2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S2/c1-9-2-3-11(6-12(9)14)21(17,18)16-7-10(8-16)19-13-15-4-5-20-13/h2-6,10H,7-8H2,1H3
InChIKeyYCVMHQDQFQJVRJ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.56
Rot. Bonds4

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

2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (PubChem CID 90627728) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
PubChem CID90627728
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S2/c1-9-2-3-11(6-12(9)14)21(17,18)16-7-10(8-16)19-13-15-4-5-20-13/h2-6,10H,7-8H2,1H3
InChIKeyYCVMHQDQFQJVRJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.56
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-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
2-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627713
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (CID 90627728) is 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is Cc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is YCVMHQDQFQJVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-9-2-3-11(6-12(9)14)21(17,18)16-7-10(8-16)19-13-15-4-5-20-13/h2-6,10H,7-8H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 344.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90627728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).