2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide

C13H12BrClN2O2S — CID 51062771

IUPAC2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide
SMILESO=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1.[Br-].[H+]
InChIInChI=1S/C13H11ClN2O2S.BrH/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)19-13-15-5-6-16(12)13;/h1-4H,5-7H2,(H,17,18);1H
InChIKeyCJAJKYKODXJMCU-UHFFFAOYSA-N
MW375.68 g/mol
LogP0.02
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide

2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide (PubChem CID 51062771) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide
PubChem CID51062771
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide
SMILESO=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1.[Br-].[H+]
InChIInChI=1S/C13H11ClN2O2S.BrH/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)19-13-15-5-6-16(12)13;/h1-4H,5-7H2,(H,17,18);1H
InChIKeyCJAJKYKODXJMCU-UHFFFAOYSA-N
XLogP0.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide (CID 51062771) is 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide is O=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1.[Br-].[H+].
What is the InChIKey of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide?
The InChIKey is CJAJKYKODXJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S.BrH/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)19-13-15-5-6-16(12)13;/h1-4H,5-7H2,(H,17,18);1H.
What are the key properties of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide?
2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide has a molecular weight of 375.68 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide is sourced from PubChem (CID 51062771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).