1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one

C12H19N3OS — CID 64992946

IUPAC1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(8-15-6-3-4-11(15)16)14-10(2)12-13-5-7-17-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeySBUIPMJYFNWPRT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 64992946) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID64992946
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(8-15-6-3-4-11(15)16)14-10(2)12-13-5-7-17-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeySBUIPMJYFNWPRT-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one (CID 64992946) is 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC(C)c1nccs1.
What is the InChIKey of 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is SBUIPMJYFNWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(8-15-6-3-4-11(15)16)14-10(2)12-13-5-7-17-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 64992946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).