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

C20H23ClN2OS — CID 3070330

IUPAC3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride
SMILESCc1ccccc1C1(O)C(CCc2ccccc2)SC2=NCCN21.Cl
InChIInChI=1S/C20H22N2OS.ClH/c1-15-7-5-6-10-17(15)20(23)18(24-19-21-13-14-22(19)20)12-11-16-8-3-2-4-9-16;/h2-10,18,23H,11-14H2,1H3;1H
InChIKeySMZPEAVOWZGDCZ-UHFFFAOYSA-N
MW374.94 g/mol
LogP3.98
Rot. Bonds4

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

3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride (PubChem CID 3070330) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride
PubChem CID3070330
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride
SMILESCc1ccccc1C1(O)C(CCc2ccccc2)SC2=NCCN21.Cl
InChIInChI=1S/C20H22N2OS.ClH/c1-15-7-5-6-10-17(15)20(23)18(24-19-21-13-14-22(19)20)12-11-16-8-3-2-4-9-16;/h2-10,18,23H,11-14H2,1H3;1H
InChIKeySMZPEAVOWZGDCZ-UHFFFAOYSA-N
XLogP3.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride?
The IUPAC name of 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride (CID 3070330) is 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride.
What is the SMILES notation for 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride?
The canonical SMILES for 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride is Cc1ccccc1C1(O)C(CCc2ccccc2)SC2=NCCN21.Cl.
What is the InChIKey of 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride?
The InChIKey is SMZPEAVOWZGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS.ClH/c1-15-7-5-6-10-17(15)20(23)18(24-19-21-13-14-22(19)20)12-11-16-8-3-2-4-9-16;/h2-10,18,23H,11-14H2,1H3;1H.
What are the key properties of 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride?
3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride has a molecular weight of 374.94 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol;hydrochloride is sourced from PubChem (CID 3070330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).