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

C13H11ClN2O2S — CID 5141995

IUPAC2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1
InChIInChI=1S/C13H11ClN2O2S/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)
InChIKeyIAGUWCJIMUCBTB-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.90
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 5141995) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID5141995
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1
InChIInChI=1S/C13H11ClN2O2S/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)
InChIKeyIAGUWCJIMUCBTB-UHFFFAOYSA-N
XLogP2.90
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.90
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?
The IUPAC name of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 5141995) is 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is O=C(O)CC1=C(c2ccc(Cl)cc2)N2CCN=C2S1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is IAGUWCJIMUCBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/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).
What are the key properties of 2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 294.76 g/mol, XLogP of 2.90, 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 is sourced from PubChem (CID 5141995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).