2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole

C22H21F3N2O3S2 — CID 157065958

IUPAC2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3nccs3)cc2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O3S2/c23-22(24,25)30-19-2-1-3-20(12-19)32(28,29)15-17-8-10-27(14-17)13-16-4-6-18(7-5-16)21-26-9-11-31-21/h1-7,9,11-12,17H,8,10,13-15H2/t17-/m1/s1
InChIKeyABWLGECIJIOPAG-QGZVFWFLSA-N
MW482.55 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole

2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole (PubChem CID 157065958) has the molecular formula C22H21F3N2O3S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
PubChem CID157065958
Molecular FormulaC22H21F3N2O3S2
Molecular Weight482.55 g/mol
Exact Mass482.09
IUPAC Name2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3nccs3)cc2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O3S2/c23-22(24,25)30-19-2-1-3-20(12-19)32(28,29)15-17-8-10-27(14-17)13-16-4-6-18(7-5-16)21-26-9-11-31-21/h1-7,9,11-12,17H,8,10,13-15H2/t17-/m1/s1
InChIKeyABWLGECIJIOPAG-QGZVFWFLSA-N
XLogP5.00
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-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

(3R)-1-[(4-thiophen-2-ylphenyl)methyl]-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidine
CID 153219831
(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine
CID 160901312
(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 158782417
N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
(3R)-1-[[4-(2-methoxyphenyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 160934077
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
N-[(3R)-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfinamide
CID 118521607
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
CID 162034784
N-[(3R)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfinamide
CID 118521664
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole (CID 157065958) is 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole is O=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3nccs3)cc2)C1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The InChIKey is ABWLGECIJIOPAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21F3N2O3S2/c23-22(24,25)30-19-2-1-3-20(12-19)32(28,29)15-17-8-10-27(14-17)13-16-4-6-18(7-5-16)21-26-9-11-31-21/h1-7,9,11-12,17H,8,10,13-15H2/t17-/m1/s1.
What are the key properties of 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole has a molecular weight of 482.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 157065958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).