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

C13H21N3OS — CID 104512655

IUPAC1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cnc(NCC)s2)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-10-6-12(17)16(8-10)9-11-7-15-13(18-11)14-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyUFMNVIZKSJDYBG-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.72
Rot. Bonds6

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

1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 104512655) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID104512655
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cnc(NCC)s2)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-10-6-12(17)16(8-10)9-11-7-15-13(18-11)14-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyUFMNVIZKSJDYBG-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione
CID 79941670
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512683
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
CID 79775133
1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 15952555
5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772417
ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
CID 143347755
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 113421240

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one (CID 104512655) is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cnc(NCC)s2)C1.
What is the InChIKey of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is UFMNVIZKSJDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-5-10-6-12(17)16(8-10)9-11-7-15-13(18-11)14-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 267.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).