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

C10H15N3OS — CID 115890616

IUPAC5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cscn1
InChIInChI=1S/C10H15N3OS/c1-7(9-5-15-6-12-9)11-4-8-2-3-10(14)13-8/h5-8,11H,2-4H2,1H3,(H,13,14)
InChIKeyJPFDBBQWZLXUPV-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.07
Rot. Bonds4

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

5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 115890616) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID115890616
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cscn1
InChIInChI=1S/C10H15N3OS/c1-7(9-5-15-6-12-9)11-4-8-2-3-10(14)13-8/h5-8,11H,2-4H2,1H3,(H,13,14)
InChIKeyJPFDBBQWZLXUPV-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]pyrrolidine-2-carbonitrile
CID 20706081
N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 47070623
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377169
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
(2S)-1-acetyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 53519722
2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 71868297
2-(2-Oxopyrrolidin-1-YL)-N-[2-(1,3-thiazol-4-YL)ethyl]acetamide
CID 91786994
4-azido-N-methyl-5-oxo-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]pentanamide
CID 176431847
3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 71985927
3-(1,3-thiazol-4-yl)-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 97586182
3-(1,3-thiazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 97586183
4,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 120351324

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one (CID 115890616) is 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one is CC(NCC1CCC(=O)N1)c1cscn1.
What is the InChIKey of 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is JPFDBBQWZLXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(9-5-15-6-12-9)11-4-8-2-3-10(14)13-8/h5-8,11H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 225.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115890616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).