3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one

C22H15ClN2O2S — CID 3064513

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one
SMILESCc1ccc2oc(C)c(-c3csc4nc(-c5ccc(Cl)cc5)cn34)c(=O)c2c1
InChIInChI=1S/C22H15ClN2O2S/c1-12-3-8-19-16(9-12)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-4-6-15(23)7-5-14/h3-11H,1-2H3
InChIKeyHQXLRZNVGSSQHV-UHFFFAOYSA-N
MW406.89 g/mol
LogP6.11
Rot. Bonds2

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one (PubChem CID 3064513) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one
PubChem CID3064513
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one
SMILESCc1ccc2oc(C)c(-c3csc4nc(-c5ccc(Cl)cc5)cn34)c(=O)c2c1
InChIInChI=1S/C22H15ClN2O2S/c1-12-3-8-19-16(9-12)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-4-6-15(23)7-5-14/h3-11H,1-2H3
InChIKeyHQXLRZNVGSSQHV-UHFFFAOYSA-N
XLogP6.11
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one (CID 3064513) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one is Cc1ccc2oc(C)c(-c3csc4nc(-c5ccc(Cl)cc5)cn34)c(=O)c2c1.
What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one?
The InChIKey is HQXLRZNVGSSQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c1-12-3-8-19-16(9-12)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-4-6-15(23)7-5-14/h3-11H,1-2H3.
What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one has a molecular weight of 406.89 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2,6-dimethylchromen-4-one is sourced from PubChem (CID 3064513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).