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

C23H23BrN2OS — CID 3070340

IUPAC3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2cccc3ccccc23)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C23H22N2OS.BrH/c26-23(20-12-6-10-18-9-4-5-11-19(18)20)21(27-22-24-15-16-25(22)23)14-13-17-7-2-1-3-8-17;/h1-12,21,26H,13-16H2;1H
InChIKeyHFMBWMPXBHQIDQ-UHFFFAOYSA-N
MW455.42 g/mol
LogP4.98
Rot. Bonds4

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

3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (PubChem CID 3070340) has the molecular formula C23H23BrN2OS and a molecular weight of 455.42 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
PubChem CID3070340
Molecular FormulaC23H23BrN2OS
Molecular Weight455.42 g/mol
Exact Mass454.07
IUPAC Name3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2cccc3ccccc23)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C23H22N2OS.BrH/c26-23(20-12-6-10-18-9-4-5-11-19(18)20)21(27-22-24-15-16-25(22)23)14-13-17-7-2-1-3-8-17;/h1-12,21,26H,13-16H2;1H
InChIKeyHFMBWMPXBHQIDQ-UHFFFAOYSA-N
XLogP4.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The IUPAC name of 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (CID 3070340) is 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.
What is the SMILES notation for 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The canonical SMILES for 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is Br.OC1(c2cccc3ccccc23)C(CCc2ccccc2)SC2=NCCN21.
What is the InChIKey of 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The InChIKey is HFMBWMPXBHQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS.BrH/c26-23(20-12-6-10-18-9-4-5-11-19(18)20)21(27-22-24-15-16-25(22)23)14-13-17-7-2-1-3-8-17;/h1-12,21,26H,13-16H2;1H.
What are the key properties of 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide has a molecular weight of 455.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is sourced from PubChem (CID 3070340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).