2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole

C24H15N3OS2 — CID 140765109

IUPAC2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole
SMILESc1cc(Oc2cccc(-c3nc4sccc4s3)c2)cc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C24H15N3OS2/c1-2-11-27-15-20(25-22(27)9-1)16-5-3-7-18(13-16)28-19-8-4-6-17(14-19)23-26-24-21(30-23)10-12-29-24/h1-15H
InChIKeyLRBXDDNLRPRVJP-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.13
Rot. Bonds4

About 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole

2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole (PubChem CID 140765109) has the molecular formula C24H15N3OS2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole
PubChem CID140765109
Molecular FormulaC24H15N3OS2
Molecular Weight425.54 g/mol
Exact Mass425.07
IUPAC Name2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole
SMILESc1cc(Oc2cccc(-c3nc4sccc4s3)c2)cc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C24H15N3OS2/c1-2-11-27-15-20(25-22(27)9-1)16-5-3-7-18(13-16)28-19-8-4-6-17(14-19)23-26-24-21(30-23)10-12-29-24/h1-15H
InChIKeyLRBXDDNLRPRVJP-UHFFFAOYSA-N
XLogP7.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole (CID 140765109) is 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole is c1cc(Oc2cccc(-c3nc4sccc4s3)c2)cc(-c2cn3ccccc3n2)c1.
What is the InChIKey of 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole?
The InChIKey is LRBXDDNLRPRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3OS2/c1-2-11-27-15-20(25-22(27)9-1)16-5-3-7-18(13-16)28-19-8-4-6-17(14-19)23-26-24-21(30-23)10-12-29-24/h1-15H.
What are the key properties of 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole?
2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole has a molecular weight of 425.54 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-imidazo[1,2-a]pyridin-2-ylphenoxy)phenyl]thieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 140765109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).