2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

C19H18N2O3S2 — CID 121150766

IUPAC2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2ccccc2)c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C19H18N2O3S2/c22-26(23,21-11-9-17(14-21)24-19-20-10-12-25-19)18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2
InChIKeyWEMZUYRYVCEMFM-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150766) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150766
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2ccccc2)c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C19H18N2O3S2/c22-26(23,21-11-9-17(14-21)24-19-20-10-12-25-19)18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2
InChIKeyWEMZUYRYVCEMFM-UHFFFAOYSA-N
XLogP3.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150775
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
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
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150766) is 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is WEMZUYRYVCEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-26(23,21-11-9-17(14-21)24-19-20-10-12-25-19)18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2.
What are the key properties of 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 386.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).