[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C22H23N5O2S — CID 28783501

IUPAC[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1cc(-c2ccccc2)on1)Cc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C22H23N5O2S/c1-25(14-17-13-19(29-24-17)16-7-3-2-4-8-16)15-18-20(21(28)26-9-5-6-10-26)23-22-27(18)11-12-30-22/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3
InChIKeyJQWLHPSZOPIHFJ-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.92
Rot. Bonds6

About [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 28783501) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID28783501
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1cc(-c2ccccc2)on1)Cc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C22H23N5O2S/c1-25(14-17-13-19(29-24-17)16-7-3-2-4-8-16)15-18-20(21(28)26-9-5-6-10-26)23-22-27(18)11-12-30-22/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3
InChIKeyJQWLHPSZOPIHFJ-UHFFFAOYSA-N
XLogP3.92
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone 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 [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 28783501) is [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is CN(Cc1cc(-c2ccccc2)on1)Cc1c(C(=O)N2CCCC2)nc2sccn12.
What is the InChIKey of [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JQWLHPSZOPIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-25(14-17-13-19(29-24-17)16-7-3-2-4-8-16)15-18-20(21(28)26-9-5-6-10-26)23-22-27(18)11-12-30-22/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3.
What are the key properties of [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 421.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 28783501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).