3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine

C25H22F3N3O3S2 — CID 46877577

IUPAC3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCSC4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyCBDKGOMYQLDSHF-UHFFFAOYSA-N
MW533.60 g/mol
LogP5.72
Rot. Bonds6

About 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine

3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine (PubChem CID 46877577) has the molecular formula C25H22F3N3O3S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine
PubChem CID46877577
Molecular FormulaC25H22F3N3O3S2
Molecular Weight533.60 g/mol
Exact Mass533.11
IUPAC Name3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCSC4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyCBDKGOMYQLDSHF-UHFFFAOYSA-N
XLogP5.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.60
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine?
The IUPAC name of 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine (CID 46877577) is 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine?
The canonical SMILES for 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine is CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCSC4)nc4c(C(F)(F)F)cccn34)c2)c1.
What is the InChIKey of 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine?
The InChIKey is CBDKGOMYQLDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3.
What are the key properties of 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine?
3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine has a molecular weight of 533.60 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 46877577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).