1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one

C9H12N2OS — CID 141065534

IUPAC1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1cncs1
InChIInChI=1S/C9H12N2OS/c12-9-2-1-4-11(9)5-3-8-6-10-7-13-8/h6-7H,1-5H2
InChIKeyFKMLQTCEGZMQSW-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.31
Rot. Bonds3

About 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one

1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 141065534) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID141065534
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1cncs1
InChIInChI=1S/C9H12N2OS/c12-9-2-1-4-11(9)5-3-8-6-10-7-13-8/h6-7H,1-5H2
InChIKeyFKMLQTCEGZMQSW-UHFFFAOYSA-N
XLogP1.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-Butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
CID 71426525
1-Methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyrrolidin-2-one
CID 72011920
1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 164640452
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 126785148
1-[2-(Fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 126792731
[5-Oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676533
5-Oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714936
2-(1,3-Thiazol-5-yl)acetamide
CID 22358660
2-(2-Methyl-1,3-thiazol-5-yl)acetamide
CID 33698361
1-(1,3-Thiazol-5-ylmethyl)pyrrolidin-2-one
CID 53629138
1-(5-Ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 59059051
1-Methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one
CID 69351096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one (CID 141065534) is 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCc1cncs1.
What is the InChIKey of 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is FKMLQTCEGZMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-2-1-4-11(9)5-3-8-6-10-7-13-8/h6-7H,1-5H2.
What are the key properties of 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one?
1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141065534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).