2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide

C20H20BrF3N2OS — CID 3070338

IUPAC2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2cccc(C(F)(F)F)c2)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C20H19F3N2OS.BrH/c21-20(22,23)16-8-4-7-15(13-16)19(26)17(27-18-24-11-12-25(18)19)10-9-14-5-2-1-3-6-14;/h1-8,13,17,26H,9-12H2;1H
InChIKeyRYUJVRUWWVITCS-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.85
Rot. Bonds4

About 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide

2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (PubChem CID 3070338) has the molecular formula C20H20BrF3N2OS and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.

Molecular Properties

Compound Name2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
PubChem CID3070338
Molecular FormulaC20H20BrF3N2OS
Molecular Weight473.36 g/mol
Exact Mass472.04
IUPAC Name2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2cccc(C(F)(F)F)c2)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C20H19F3N2OS.BrH/c21-20(22,23)16-8-4-7-15(13-16)19(26)17(27-18-24-11-12-25(18)19)10-9-14-5-2-1-3-6-14;/h1-8,13,17,26H,9-12H2;1H
InChIKeyRYUJVRUWWVITCS-UHFFFAOYSA-N
XLogP4.85
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The IUPAC name of 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (CID 3070338) is 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.
What is the SMILES notation for 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The canonical SMILES for 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is Br.OC1(c2cccc(C(F)(F)F)c2)C(CCc2ccccc2)SC2=NCCN21.
What is the InChIKey of 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The InChIKey is RYUJVRUWWVITCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2OS.BrH/c21-20(22,23)16-8-4-7-15(13-16)19(26)17(27-18-24-11-12-25(18)19)10-9-14-5-2-1-3-6-14;/h1-8,13,17,26H,9-12H2;1H.
What are the key properties of 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide has a molecular weight of 473.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is sourced from PubChem (CID 3070338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).