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

C13H17N3OS — CID 104687386

IUPAC5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one
SMILESCc1nc2scc(C)n2c1CC1(C)CCC(=O)N1
InChIInChI=1S/C13H17N3OS/c1-8-7-18-12-14-9(2)10(16(8)12)6-13(3)5-4-11(17)15-13/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyRYWSLEBYSJRENX-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.22
Rot. Bonds2

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

5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 104687386) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one
PubChem CID104687386
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one
SMILESCc1nc2scc(C)n2c1CC1(C)CCC(=O)N1
InChIInChI=1S/C13H17N3OS/c1-8-7-18-12-14-9(2)10(16(8)12)6-13(3)5-4-11(17)15-13/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyRYWSLEBYSJRENX-UHFFFAOYSA-N
XLogP2.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.22
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]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one (CID 104687386) is 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one is Cc1nc2scc(C)n2c1CC1(C)CCC(=O)N1.
What is the InChIKey of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is RYWSLEBYSJRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-7-18-12-14-9(2)10(16(8)12)6-13(3)5-4-11(17)15-13/h7H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one?
5-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.22, 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]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 104687386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).