3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide

C19H19BrCl2N2OS — CID 3070328

IUPAC3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2ccc(Cl)c(Cl)c2)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C19H18Cl2N2OS.BrH/c20-15-8-7-14(12-16(15)21)19(24)17(25-18-22-10-11-23(18)19)9-6-13-4-2-1-3-5-13;/h1-5,7-8,12,17,24H,6,9-11H2;1H
InChIKeyAUTWYVZRKKAVNV-UHFFFAOYSA-N
MW474.25 g/mol
LogP5.14
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide

3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (PubChem CID 3070328) has the molecular formula C19H19BrCl2N2OS and a molecular weight of 474.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
PubChem CID3070328
Molecular FormulaC19H19BrCl2N2OS
Molecular Weight474.25 g/mol
Exact Mass471.98
IUPAC Name3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide
SMILESBr.OC1(c2ccc(Cl)c(Cl)c2)C(CCc2ccccc2)SC2=NCCN21
InChIInChI=1S/C19H18Cl2N2OS.BrH/c20-15-8-7-14(12-16(15)21)19(24)17(25-18-22-10-11-23(18)19)9-6-13-4-2-1-3-5-13;/h1-5,7-8,12,17,24H,6,9-11H2;1H
InChIKeyAUTWYVZRKKAVNV-UHFFFAOYSA-N
XLogP5.14
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide (CID 3070328) is 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is Br.OC1(c2ccc(Cl)c(Cl)c2)C(CCc2ccccc2)SC2=NCCN21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
The InChIKey is AUTWYVZRKKAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2OS.BrH/c20-15-8-7-14(12-16(15)21)19(24)17(25-18-22-10-11-23(18)19)9-6-13-4-2-1-3-5-13;/h1-5,7-8,12,17,24H,6,9-11H2;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide?
3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide has a molecular weight of 474.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrobromide is sourced from PubChem (CID 3070328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).