4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol

C17H11Cl2N3O2S — CID 51134058

IUPAC4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c(O)c1
InChIInChI=1S/C17H11Cl2N3O2S/c18-9-3-13(19)17-20-10(7-22(17)6-9)4-16-21-14(8-25-16)12-2-1-11(23)5-15(12)24/h1-3,5-8,23-24H,4H2
InChIKeyYEQJMZJYAZMNNL-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.77
Rot. Bonds3

About 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 51134058) has the molecular formula C17H11Cl2N3O2S and a molecular weight of 392.27 g/mol. Its IUPAC name is 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID51134058
Molecular FormulaC17H11Cl2N3O2S
Molecular Weight392.27 g/mol
Exact Mass390.99
IUPAC Name4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c(O)c1
InChIInChI=1S/C17H11Cl2N3O2S/c18-9-3-13(19)17-20-10(7-22(17)6-9)4-16-21-14(8-25-16)12-2-1-11(23)5-15(12)24/h1-3,5-8,23-24H,4H2
InChIKeyYEQJMZJYAZMNNL-UHFFFAOYSA-N
XLogP4.77
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol (CID 51134058) is 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol is Oc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c(O)c1.
What is the InChIKey of 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is YEQJMZJYAZMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S/c18-9-3-13(19)17-20-10(7-22(17)6-9)4-16-21-14(8-25-16)12-2-1-11(23)5-15(12)24/h1-3,5-8,23-24H,4H2.
What are the key properties of 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 392.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 51134058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).