6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride

C11H13ClN2S — CID 71312483

IUPAC6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(C2CN3CCSC3=N2)c([2H])c1[2H]
InChIInChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/i1D,2D,3D,4D,5D;
InChIKeyLAZPBGZRMVRFKY-GWVWGMRQSA-N
MW245.79 g/mol
LogP2.57
Rot. Bonds1

About 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride

6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 71312483) has the molecular formula C11H13ClN2S and a molecular weight of 245.79 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID71312483
Molecular FormulaC11H13ClN2S
Molecular Weight245.79 g/mol
Exact Mass245.08
IUPAC Name6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(C2CN3CCSC3=N2)c([2H])c1[2H]
InChIInChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/i1D,2D,3D,4D,5D;
InChIKeyLAZPBGZRMVRFKY-GWVWGMRQSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Levamisole
CID 26879
(+-)-Tetramisole
CID 3913
Levamisole Hydrochloride
CID 27944
Tetramisole Hydrochloride
CID 68628
Levamisole Phosphate
CID 198119
Dexamisole
CID 66374
4-Bromolevamisole
CID 688042
3-(4-Ethylphenyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 20994488
Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, hydrochloride (1:1), (6R)-
CID 197152
4-Bromotetramisole
CID 5121
3-(p-Tolyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 2859475
Antafenite
CID 170340

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 71312483) is 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.[2H]c1c([2H])c([2H])c(C2CN3CCSC3=N2)c([2H])c1[2H].
What is the InChIKey of 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is LAZPBGZRMVRFKY-GWVWGMRQSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/i1D,2D,3D,4D,5D;.
What are the key properties of 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6-pentadeuteriophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 71312483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).