5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one

C12H15N3OS — CID 104687181

IUPAC5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc2scc(C)n2c1CC1CCC(=O)N1
InChIInChI=1S/C12H15N3OS/c1-7-6-17-12-13-8(2)10(15(7)12)5-9-3-4-11(16)14-9/h6,9H,3-5H2,1-2H3,(H,14,16)
InChIKeyKXJMYXJGTBKDCA-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.83
Rot. Bonds2

About 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one

5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 104687181) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID104687181
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc2scc(C)n2c1CC1CCC(=O)N1
InChIInChI=1S/C12H15N3OS/c1-7-6-17-12-13-8(2)10(15(7)12)5-9-3-4-11(16)14-9/h6,9H,3-5H2,1-2H3,(H,14,16)
InChIKeyKXJMYXJGTBKDCA-UHFFFAOYSA-N
XLogP1.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one (CID 104687181) is 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one is Cc1nc2scc(C)n2c1CC1CCC(=O)N1.
What is the InChIKey of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is KXJMYXJGTBKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-6-17-12-13-8(2)10(15(7)12)5-9-3-4-11(16)14-9/h6,9H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).