1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one

C9H12N2OS — CID 63829576

IUPAC1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one
SMILESO=C1CCN(CCc2cscn2)C1
InChIInChI=1S/C9H12N2OS/c12-9-2-4-11(5-9)3-1-8-6-13-7-10-8/h6-7H,1-5H2
InChIKeyQZDQKVWJIBIPJZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.96
Rot. Bonds3

About 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one

1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one (PubChem CID 63829576) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one
PubChem CID63829576
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one
SMILESO=C1CCN(CCc2cscn2)C1
InChIInChI=1S/C9H12N2OS/c12-9-2-4-11(5-9)3-1-8-6-13-7-10-8/h6-7H,1-5H2
InChIKeyQZDQKVWJIBIPJZ-UHFFFAOYSA-N
XLogP0.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 63824117
[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 64866462
1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 171913174
4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
CID 63824639
1-[5-[2-(1,3-thiazol-4-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91795721
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123
3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971150
4-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64950407
2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874897
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one?
The IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one (CID 63829576) is 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one?
The canonical SMILES for 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one is O=C1CCN(CCc2cscn2)C1.
What is the InChIKey of 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one?
The InChIKey is QZDQKVWJIBIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-2-4-11(5-9)3-1-8-6-13-7-10-8/h6-7H,1-5H2.
What are the key properties of 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one?
1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one has a molecular weight of 196.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 63829576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).