4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one

C11H18N4O2S — CID 106183182

IUPAC4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one
SMILESCOc1nc(N(C)C)sc1CNC1CNC(=O)C1
InChIInChI=1S/C11H18N4O2S/c1-15(2)11-14-10(17-3)8(18-11)6-12-7-4-9(16)13-5-7/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyGDVHNDIGOKAIQG-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.20
Rot. Bonds5

About 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one

4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one (PubChem CID 106183182) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one
PubChem CID106183182
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one
SMILESCOc1nc(N(C)C)sc1CNC1CNC(=O)C1
InChIInChI=1S/C11H18N4O2S/c1-15(2)11-14-10(17-3)8(18-11)6-12-7-4-9(16)13-5-7/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyGDVHNDIGOKAIQG-UHFFFAOYSA-N
XLogP0.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one (CID 106183182) is 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one is COc1nc(N(C)C)sc1CNC1CNC(=O)C1.
What is the InChIKey of 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one?
The InChIKey is GDVHNDIGOKAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15(2)11-14-10(17-3)8(18-11)6-12-7-4-9(16)13-5-7/h7,12H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one?
4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one has a molecular weight of 270.36 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106183182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).