1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one

C12H12N2OS — CID 168502966

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C12H12N2OS/c1-2-8-6-11(15)14(7-8)12-13-9-4-3-5-10(9)16-12/h1,8H,3-7H2
InChIKeyRGZNLAPEYWNPAX-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.62
Rot. Bonds1

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one (PubChem CID 168502966) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one
PubChem CID168502966
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C12H12N2OS/c1-2-8-6-11(15)14(7-8)12-13-9-4-3-5-10(9)16-12/h1,8H,3-7H2
InChIKeyRGZNLAPEYWNPAX-UHFFFAOYSA-N
XLogP1.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-1-(thiatriazol-5-yl)pyrrolidin-2-one
CID 168503107
1-(4-chloro-1,3-benzothiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502569
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 168502566
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710696
4-ethynyl-1-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168503010
1-(2,6-dichloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502977
1-(2-amino-6-chloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502718
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
CID 115371059
4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one
CID 168509610
1-(2,6-dimethoxy-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168500900
1-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethynylpyrrolidin-2-one
CID 168502942
7-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168502761

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one (CID 168502966) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2nc3c(s2)CCC3)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one?
The InChIKey is RGZNLAPEYWNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-8-6-11(15)14(7-8)12-13-9-4-3-5-10(9)16-12/h1,8H,3-7H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one has a molecular weight of 232.31 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168502966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).