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

C11H13N3OS — CID 104687071

IUPAC5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc2sccn2c1CC1CCC(=O)N1
InChIInChI=1S/C11H13N3OS/c1-7-9(6-8-2-3-10(15)13-8)14-4-5-16-11(14)12-7/h4-5,8H,2-3,6H2,1H3,(H,13,15)
InChIKeyDHYDEDKLQPOGOX-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.53
Rot. Bonds2

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

5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 104687071) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID104687071
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc2sccn2c1CC1CCC(=O)N1
InChIInChI=1S/C11H13N3OS/c1-7-9(6-8-2-3-10(15)13-8)14-4-5-16-11(14)12-7/h4-5,8H,2-3,6H2,1H3,(H,13,15)
InChIKeyDHYDEDKLQPOGOX-UHFFFAOYSA-N
XLogP1.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one (CID 104687071) is 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one is Cc1nc2sccn2c1CC1CCC(=O)N1.
What is the InChIKey of 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is DHYDEDKLQPOGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-9(6-8-2-3-10(15)13-8)14-4-5-16-11(14)12-7/h4-5,8H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one?
5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 235.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).