imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C16H18N4O2S — CID 70732824

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cn3ccsc3n2)no1
InChIInChI=1S/C16H18N4O2S/c1-10(2)14-8-11(18-22-14)13-4-3-5-20(13)15(21)12-9-19-6-7-23-16(19)17-12/h6-10,13H,3-5H2,1-2H3
InChIKeyVIBHXTGCVUMGLU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.48
Rot. Bonds3

About imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 70732824) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID70732824
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cn3ccsc3n2)no1
InChIInChI=1S/C16H18N4O2S/c1-10(2)14-8-11(18-22-14)13-4-3-5-20(13)15(21)12-9-19-6-7-23-16(19)17-12/h6-10,13H,3-5H2,1-2H3
InChIKeyVIBHXTGCVUMGLU-UHFFFAOYSA-N
XLogP3.48
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 70732824) is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2cn3ccsc3n2)no1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VIBHXTGCVUMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)14-8-11(18-22-14)13-4-3-5-20(13)15(21)12-9-19-6-7-23-16(19)17-12/h6-10,13H,3-5H2,1-2H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70732824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).