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

C21H25BrN2OS — CID 3070334

IUPAC3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.Cc1cccc(C2(O)C(CCc3ccccc3)SC3=NCCN32)c1C
InChIInChI=1S/C21H24N2OS.BrH/c1-15-7-6-10-18(16(15)2)21(24)19(25-20-22-13-14-23(20)21)12-11-17-8-4-3-5-9-17;/h3-10,19,24H,11-14H2,1-2H3;1H
InChIKeyMCNITRWAMPULIM-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.45
Rot. Bonds4

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

3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (PubChem CID 3070334) has the molecular formula C21H25BrN2OS and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
PubChem CID3070334
Molecular FormulaC21H25BrN2OS
Molecular Weight433.42 g/mol
Exact Mass432.09
IUPAC Name3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.Cc1cccc(C2(O)C(CCc3ccccc3)SC3=NCCN32)c1C
InChIInChI=1S/C21H24N2OS.BrH/c1-15-7-6-10-18(16(15)2)21(24)19(25-20-22-13-14-23(20)21)12-11-17-8-4-3-5-9-17;/h3-10,19,24H,11-14H2,1-2H3;1H
InChIKeyMCNITRWAMPULIM-UHFFFAOYSA-N
XLogP4.45
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The IUPAC name of 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (CID 3070334) is 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is Br.Cc1cccc(C2(O)C(CCc3ccccc3)SC3=NCCN32)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The InChIKey is MCNITRWAMPULIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS.BrH/c1-15-7-6-10-18(16(15)2)21(24)19(25-20-22-13-14-23(20)21)12-11-17-8-4-3-5-9-17;/h3-10,19,24H,11-14H2,1-2H3;1H.
What are the key properties of 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide has a molecular weight of 433.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is sourced from PubChem (CID 3070334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).