1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C12H16N4O2S — CID 140750583

IUPAC1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(N2CCCC2=O)CC1
InChIInChI=1S/C12H16N4O2S/c17-10-2-1-4-16(10)15-7-5-14(6-8-15)12(18)11-13-3-9-19-11/h3,9H,1-2,4-8H2
InChIKeyNEACIXKYHHPZQS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.44
Rot. Bonds2

About 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 140750583) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID140750583
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(N2CCCC2=O)CC1
InChIInChI=1S/C12H16N4O2S/c17-10-2-1-4-16(10)15-7-5-14(6-8-15)12(18)11-13-3-9-19-11/h3,9H,1-2,4-8H2
InChIKeyNEACIXKYHHPZQS-UHFFFAOYSA-N
XLogP0.44
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
CID 110695914
3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196740
tert-butyl formate;piperidin-1-yl(1,3-thiazol-2-yl)methanone
CID 174721923
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196684
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 67289625
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
CID 69459233
CID 69459233
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 140750583) is 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(N2CCCC2=O)CC1.
What is the InChIKey of 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is NEACIXKYHHPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-10-2-1-4-16(10)15-7-5-14(6-8-15)12(18)11-13-3-9-19-11/h3,9H,1-2,4-8H2.
What are the key properties of 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 140750583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).