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

C13H21N3OS — CID 54865802

IUPAC1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCc1ncsc1C(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H21N3OS/c1-9(7-16-6-4-5-12(16)17)15-11(3)13-10(2)14-8-18-13/h8-9,11,15H,4-7H2,1-3H3
InChIKeyAMCKTAZAILTSMA-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds5

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

1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 54865802) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID54865802
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCc1ncsc1C(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H21N3OS/c1-9(7-16-6-4-5-12(16)17)15-11(3)13-10(2)14-8-18-13/h8-9,11,15H,4-7H2,1-3H3
InChIKeyAMCKTAZAILTSMA-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one (CID 54865802) is 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one is Cc1ncsc1C(C)NC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is AMCKTAZAILTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(7-16-6-4-5-12(16)17)15-11(3)13-10(2)14-8-18-13/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 267.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).