3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole

C20H15N3OS — CID 171716184

IUPAC3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc2[nH]cc(-c3csc4nc(-c5ccccc5)cn34)c2c1
InChIInChI=1S/C20H15N3OS/c1-24-14-7-8-17-15(9-14)16(10-21-17)19-12-25-20-22-18(11-23(19)20)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyHUWQDYRLYFYNPM-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.22
Rot. Bonds3

About 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole

3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 171716184) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID171716184
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc2[nH]cc(-c3csc4nc(-c5ccccc5)cn34)c2c1
InChIInChI=1S/C20H15N3OS/c1-24-14-7-8-17-15(9-14)16(10-21-17)19-12-25-20-22-18(11-23(19)20)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyHUWQDYRLYFYNPM-UHFFFAOYSA-N
XLogP5.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole (CID 171716184) is 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole is COc1ccc2[nH]cc(-c3csc4nc(-c5ccccc5)cn34)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is HUWQDYRLYFYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-24-14-7-8-17-15(9-14)16(10-21-17)19-12-25-20-22-18(11-23(19)20)13-5-3-2-4-6-13/h2-12,21H,1H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole?
3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 345.43 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 171716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).