4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one

C14H23N3OS — CID 106182810

IUPAC4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one
SMILESCc1nc(C(C)(C)C)sc1C(C)NC1CNC(=O)C1
InChIInChI=1S/C14H23N3OS/c1-8(16-10-6-11(18)15-7-10)12-9(2)17-13(19-12)14(3,4)5/h8,10,16H,6-7H2,1-5H3,(H,15,18)
InChIKeyGCGJKJSVITUTIG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.29
Rot. Bonds3

About 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one (PubChem CID 106182810) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one
PubChem CID106182810
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one
SMILESCc1nc(C(C)(C)C)sc1C(C)NC1CNC(=O)C1
InChIInChI=1S/C14H23N3OS/c1-8(16-10-6-11(18)15-7-10)12-9(2)17-13(19-12)14(3,4)5/h8,10,16H,6-7H2,1-5H3,(H,15,18)
InChIKeyGCGJKJSVITUTIG-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one?
The IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one (CID 106182810) is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one is Cc1nc(C(C)(C)C)sc1C(C)NC1CNC(=O)C1.
What is the InChIKey of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one?
The InChIKey is GCGJKJSVITUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8(16-10-6-11(18)15-7-10)12-9(2)17-13(19-12)14(3,4)5/h8,10,16H,6-7H2,1-5H3,(H,15,18).
What are the key properties of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one?
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one has a molecular weight of 281.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 106182810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).